3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one;5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-N-[(2R)-3-oxobutan-2-yl]thiophene-2-carboxamide;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid

C154H222N2O24S7 — CID 159681663

IUPAC3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one;5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-N-[(2R)-3-oxobutan-2-yl]thiophene-2-carboxamide;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid
SMILESCCC(CC)(c1ccc(C(=O)NCC(=O)O)c(C)c1)c1cc(C)c(CCC(O)C(C)(C)C)s1.CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1cc(C)c(CS(C)(=O)=O)s1.CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C(C)C)c1)c1ccc(C(=O)O)s1.CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1cc(C)c(C(=O)N[C@H](C)C(C)=O)s1.CCCc1cc(C(CC)(CC)c2ccc(C(=O)O)s2)ccc1OCC(O)C(C)(C)C.CCc1cc(C(CC)(CC)c2ccc(C(=O)O)s2)ccc1OCC(O)C(C)(C)C
InChIInChI=1S/C28H41NO4S.C27H39NO4S.C25H36O4S2.2C25H36O4S.C24H34O4S/c1-10-28(11-2,24-15-18(4)25(34-24)26(32)29-19(5)20(6)30)21-12-13-22(17(3)14-21)33-16-23(31)27(7,8)9;1-8-27(9-2,19-10-11-20(17(3)14-19)25(32)28-16-24(30)31)23-15-18(4)21(33-23)12-13-22(29)26(5,6)7;1-9-25(10-2,23-14-18(4)21(30-23)16-31(8,27)28)19-11-12-20(17(3)13-19)29-15-22(26)24(5,6)7;1-8-25(9-2,22-13-12-20(30-22)23(27)28)17-10-11-19(18(14-17)16(3)4)29-15-21(26)24(5,6)7;1-7-10-17-15-18(11-12-19(17)29-16-21(26)24(4,5)6)25(8-2,9-3)22-14-13-20(30-22)23(27)28;1-7-16-14-17(10-11-18(16)28-15-20(25)23(4,5)6)24(8-2,9-3)21-13-12-19(29-21)22(26)27/h12-15,19,23,31H,10-11,16H2,1-9H3,(H,29,32);10-11,14-15,22,29H,8-9,12-13,16H2,1-7H3,(H,28,32)(H,30,31);11-14H,9-10,15-16H2,1-8H3;10-14,16,21,26H,8-9,15H2,1-7H3,(H,27,28);11-15,21,26H,7-10,16H2,1-6H3,(H,27,28);10-14,20,25H,7-9,15H2,1-6H3,(H,26,27)/t19-,23?;;;;;/m1...../s1
InChIKeyMVGYDPOWDPZYBG-JVCSWBOXSA-N
MW2709.93 g/mol
LogP36.25
Rot. Bonds57

About 3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one;5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-N-[(2R)-3-oxobutan-2-yl]thiophene-2-carboxamide;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid

3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one;5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-N-[(2R)-3-oxobutan-2-yl]thiophene-2-carboxamide;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid (PubChem CID 159681663) has the molecular formula C154H222N2O24S7 and a molecular weight of 2709.93 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one;5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-N-[(2R)-3-oxobutan-2-yl]thiophene-2-carboxamide;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one;5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-N-[(2R)-3-oxobutan-2-yl]thiophene-2-carboxamide;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid
PubChem CID159681663
Molecular FormulaC154H222N2O24S7
Molecular Weight2709.93 g/mol
Exact Mass2707.43
IUPAC Name3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one;5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-N-[(2R)-3-oxobutan-2-yl]thiophene-2-carboxamide;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid
SMILESCCC(CC)(c1ccc(C(=O)NCC(=O)O)c(C)c1)c1cc(C)c(CCC(O)C(C)(C)C)s1.CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1cc(C)c(CS(C)(=O)=O)s1.CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C(C)C)c1)c1ccc(C(=O)O)s1.CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1cc(C)c(C(=O)N[C@H](C)C(C)=O)s1.CCCc1cc(C(CC)(CC)c2ccc(C(=O)O)s2)ccc1OCC(O)C(C)(C)C.CCc1cc(C(CC)(CC)c2ccc(C(=O)O)s2)ccc1OCC(O)C(C)(C)C
InChIInChI=1S/C28H41NO4S.C27H39NO4S.C25H36O4S2.2C25H36O4S.C24H34O4S/c1-10-28(11-2,24-15-18(4)25(34-24)26(32)29-19(5)20(6)30)21-12-13-22(17(3)14-21)33-16-23(31)27(7,8)9;1-8-27(9-2,19-10-11-20(17(3)14-19)25(32)28-16-24(30)31)23-15-18(4)21(33-23)12-13-22(29)26(5,6)7;1-9-25(10-2,23-14-18(4)21(30-23)16-31(8,27)28)19-11-12-20(17(3)13-19)29-15-22(26)24(5,6)7;1-8-25(9-2,22-13-12-20(30-22)23(27)28)17-10-11-19(18(14-17)16(3)4)29-15-21(26)24(5,6)7;1-7-10-17-15-18(11-12-19(17)29-16-21(26)24(4,5)6)25(8-2,9-3)22-14-13-20(30-22)23(27)28;1-7-16-14-17(10-11-18(16)28-15-20(25)23(4,5)6)24(8-2,9-3)21-13-12-19(29-21)22(26)27/h12-15,19,23,31H,10-11,16H2,1-9H3,(H,29,32);10-11,14-15,22,29H,8-9,12-13,16H2,1-7H3,(H,28,32)(H,30,31);11-14H,9-10,15-16H2,1-8H3;10-14,16,21,26H,8-9,15H2,1-7H3,(H,27,28);11-15,21,26H,7-10,16H2,1-6H3,(H,27,28);10-14,20,25H,7-9,15H2,1-6H3,(H,26,27)/t19-,23?;;;;;/m1...../s1
InChIKeyMVGYDPOWDPZYBG-JVCSWBOXSA-N
XLogP36.25
TPSA422.98 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds57
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002709.93
LogP ≤ 536.25
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Analyze 3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one;5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-N-[(2R)-3-oxobutan-2-yl]thiophene-2-carboxamide;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[5-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophene-2-carbonyl]-methylamino]acetic acid;(2S)-2-[[5-[3-[3-ethyl-4-(2-hydroxy-2,3,3-trimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carbonyl]amino]propanoic acid;(2S)-2-[[5-[3-[4-(2-hydroxy-2,3,3-trimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carbonyl]amino]propanoic acid;5-[3-[4-(2-hydroxy-2,3,3-trimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;methyl 2-[[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophene-2-carbonyl]-methylamino]acetate
CID 159167976
2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid
CID 10344800
5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid
CID 10388112
3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one
CID 10073151
4-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]benzoic acid;4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]benzoic acid;2-[[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;methyl 2-[[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoate
CID 159012145
1-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]-3,3-dimethylbutan-2-one
CID 15521396
methyl (2S)-3-hydroxy-2-[[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophene-2-carbonyl]amino]propanoate
CID 10391930
5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-N-oxothiophene-2-carboxamide
CID 89171629
2-[[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1-methylpyrrole-2-carbonyl]amino]acetic acid
CID 73352548
1-[4-[3-[5-(1-methoxyethenyl)thiophen-2-yl]pentan-3-yl]-2-methylphenoxy]-3,3-dimethylbutan-2-ol
CID 89171638
4-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 10479091
methyl 4-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-2-methylbenzoate
CID 10387652

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one;5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-N-[(2R)-3-oxobutan-2-yl]thiophene-2-carboxamide;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid?
The IUPAC name of 3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one;5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-N-[(2R)-3-oxobutan-2-yl]thiophene-2-carboxamide;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid (CID 159681663) is 3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one;5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-N-[(2R)-3-oxobutan-2-yl]thiophene-2-carboxamide;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid.
What is the SMILES notation for 3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one;5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-N-[(2R)-3-oxobutan-2-yl]thiophene-2-carboxamide;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid?
The canonical SMILES for 3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one;5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-N-[(2R)-3-oxobutan-2-yl]thiophene-2-carboxamide;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid is CCC(CC)(c1ccc(C(=O)NCC(=O)O)c(C)c1)c1cc(C)c(CCC(O)C(C)(C)C)s1.CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1cc(C)c(CS(C)(=O)=O)s1.CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C(C)C)c1)c1ccc(C(=O)O)s1.CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1cc(C)c(C(=O)N[C@H](C)C(C)=O)s1.CCCc1cc(C(CC)(CC)c2ccc(C(=O)O)s2)ccc1OCC(O)C(C)(C)C.CCc1cc(C(CC)(CC)c2ccc(C(=O)O)s2)ccc1OCC(O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one;5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-N-[(2R)-3-oxobutan-2-yl]thiophene-2-carboxamide;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid?
The InChIKey is MVGYDPOWDPZYBG-JVCSWBOXSA-N. The full InChI is InChI=1S/C28H41NO4S.C27H39NO4S.C25H36O4S2.2C25H36O4S.C24H34O4S/c1-10-28(11-2,24-15-18(4)25(34-24)26(32)29-19(5)20(6)30)21-12-13-22(17(3)14-21)33-16-23(31)27(7,8)9;1-8-27(9-2,19-10-11-20(17(3)14-19)25(32)28-16-24(30)31)23-15-18(4)21(33-23)12-13-22(29)26(5,6)7;1-9-25(10-2,23-14-18(4)21(30-23)16-31(8,27)28)19-11-12-20(17(3)13-19)29-15-22(26)24(5,6)7;1-8-25(9-2,22-13-12-20(30-22)23(27)28)17-10-11-19(18(14-17)16(3)4)29-15-21(26)24(5,6)7;1-7-10-17-15-18(11-12-19(17)29-16-21(26)24(4,5)6)25(8-2,9-3)22-14-13-20(30-22)23(27)28;1-7-16-14-17(10-11-18(16)28-15-20(25)23(4,5)6)24(8-2,9-3)21-13-12-19(29-21)22(26)27/h12-15,19,23,31H,10-11,16H2,1-9H3,(H,29,32);10-11,14-15,22,29H,8-9,12-13,16H2,1-7H3,(H,28,32)(H,30,31);11-14H,9-10,15-16H2,1-8H3;10-14,16,21,26H,8-9,15H2,1-7H3,(H,27,28);11-15,21,26H,7-10,16H2,1-6H3,(H,27,28);10-14,20,25H,7-9,15H2,1-6H3,(H,26,27)/t19-,23?;;;;;/m1...../s1.
What are the key properties of 3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one;5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-N-[(2R)-3-oxobutan-2-yl]thiophene-2-carboxamide;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid?
3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one;5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-N-[(2R)-3-oxobutan-2-yl]thiophene-2-carboxamide;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid has a molecular weight of 2709.93 g/mol, XLogP of 36.25, 57 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-methyl-4-[3-[4-methyl-5-(methylsulfonylmethyl)thiophen-2-yl]pentan-3-yl]phenoxy]butan-2-one;5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-N-[(2R)-3-oxobutan-2-yl]thiophene-2-carboxamide;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid;2-[[4-[3-[5-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid is sourced from PubChem (CID 159681663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).