3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane

C143H188ClN5O30S6 — CID 159655748

IUPAC3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane
SMILESC.C1CCOC1.C1CCOC1.CC(=O)c1cc(S(=O)(=O)Cl)ccc1O.CCc1ccc(N)c(CC[C@@H](O)C2CC2)c1.CCc1ccc(NS(=O)(=O)c2ccc(O)c(C(C)=O)c2)c(CC[C@@H](O)C2CC2)c1.CCc1ccc2c(c1)CC[C@@H](C1CC1)N2S(=O)(=O)c1ccc(O)c(C(C)=O)c1.CCc1ccc2c(c1)CC[C@@H](C1CC1)N2S(=O)(=O)c1ccc(OCC2CCOCC2)c(C(C)=O)c1.CCc1ccc2c(c1)CC[C@@H](C1CC1)N2S(=O)(=O)c1ccc(OCC2CCOCC2)c(CO)c1.Cc1ccc(S(=O)(=O)OCC2CCOCC2)cc1
InChIInChI=1S/C28H35NO5S.C27H35NO5S.C22H27NO5S.C22H25NO4S.C14H21NO.C13H18O4S.C8H7ClO4S.2C4H8O.CH4/c1-3-20-4-9-27-23(16-20)7-10-26(22-5-6-22)29(27)35(31,32)24-8-11-28(25(17-24)19(2)30)34-18-21-12-14-33-15-13-21;1-2-19-3-8-26-22(15-19)6-9-25(21-4-5-21)28(26)34(30,31)24-7-10-27(23(16-24)17-29)33-18-20-11-13-32-14-12-20;1-3-15-4-9-20(17(12-15)7-10-21(25)16-5-6-16)23-29(27,28)18-8-11-22(26)19(13-18)14(2)24;1-3-15-4-9-21-17(12-15)7-10-20(16-5-6-16)23(21)28(26,27)18-8-11-22(25)19(13-18)14(2)24;1-2-10-3-7-13(15)12(9-10)6-8-14(16)11-4-5-11;1-11-2-4-13(5-3-11)18(14,15)17-10-12-6-8-16-9-7-12;1-5(10)7-4-6(14(9,12)13)2-3-8(7)11;2*1-2-4-5-3-1;/h4,8-9,11,16-17,21-22,26H,3,5-7,10,12-15,18H2,1-2H3;3,7-8,10,15-16,20-21,25,29H,2,4-6,9,11-14,17-18H2,1H3;4,8-9,11-13,16,21,23,25-26H,3,5-7,10H2,1-2H3;4,8-9,11-13,16,20,25H,3,5-7,10H2,1-2H3;3,7,9,11,14,16H,2,4-6,8,15H2,1H3;2-5,12H,6-10H2,1H3;2-4,11H,1H3;2*1-4H2;1H4/t26-;25-;21-;20-;14-;;;;;/m00101...../s1
InChIKeyMSDNHHLVWLVZRK-QCJVGRGGSA-N
MW2684.94 g/mol
LogP25.80
Rot. Bonds41

About 3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane

3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane (PubChem CID 159655748) has the molecular formula C143H188ClN5O30S6 and a molecular weight of 2684.94 g/mol. Its IUPAC name is 3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane.

Molecular Properties

Compound Name3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane
PubChem CID159655748
Molecular FormulaC143H188ClN5O30S6
Molecular Weight2684.94 g/mol
Exact Mass2682.14
IUPAC Name3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane
SMILESC.C1CCOC1.C1CCOC1.CC(=O)c1cc(S(=O)(=O)Cl)ccc1O.CCc1ccc(N)c(CC[C@@H](O)C2CC2)c1.CCc1ccc(NS(=O)(=O)c2ccc(O)c(C(C)=O)c2)c(CC[C@@H](O)C2CC2)c1.CCc1ccc2c(c1)CC[C@@H](C1CC1)N2S(=O)(=O)c1ccc(O)c(C(C)=O)c1.CCc1ccc2c(c1)CC[C@@H](C1CC1)N2S(=O)(=O)c1ccc(OCC2CCOCC2)c(C(C)=O)c1.CCc1ccc2c(c1)CC[C@@H](C1CC1)N2S(=O)(=O)c1ccc(OCC2CCOCC2)c(CO)c1.Cc1ccc(S(=O)(=O)OCC2CCOCC2)cc1
InChIInChI=1S/C28H35NO5S.C27H35NO5S.C22H27NO5S.C22H25NO4S.C14H21NO.C13H18O4S.C8H7ClO4S.2C4H8O.CH4/c1-3-20-4-9-27-23(16-20)7-10-26(22-5-6-22)29(27)35(31,32)24-8-11-28(25(17-24)19(2)30)34-18-21-12-14-33-15-13-21;1-2-19-3-8-26-22(15-19)6-9-25(21-4-5-21)28(26)34(30,31)24-7-10-27(23(16-24)17-29)33-18-20-11-13-32-14-12-20;1-3-15-4-9-20(17(12-15)7-10-21(25)16-5-6-16)23-29(27,28)18-8-11-22(26)19(13-18)14(2)24;1-3-15-4-9-21-17(12-15)7-10-20(16-5-6-16)23(21)28(26,27)18-8-11-22(25)19(13-18)14(2)24;1-2-10-3-7-13(15)12(9-10)6-8-14(16)11-4-5-11;1-11-2-4-13(5-3-11)18(14,15)17-10-12-6-8-16-9-7-12;1-5(10)7-4-6(14(9,12)13)2-3-8(7)11;2*1-2-4-5-3-1;/h4,8-9,11,16-17,21-22,26H,3,5-7,10,12-15,18H2,1-2H3;3,7-8,10,15-16,20-21,25,29H,2,4-6,9,11-14,17-18H2,1H3;4,8-9,11-13,16,21,23,25-26H,3,5-7,10H2,1-2H3;4,8-9,11-13,16,20,25H,3,5-7,10H2,1-2H3;3,7,9,11,14,16H,2,4-6,8,15H2,1H3;2-5,12H,6-10H2,1H3;2-4,11H,1H3;2*1-4H2;1H4/t26-;25-;21-;20-;14-;;;;;/m00101...../s1
InChIKeyMSDNHHLVWLVZRK-QCJVGRGGSA-N
XLogP25.80
TPSA516.11 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds41
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002684.94
LogP ≤ 525.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane with MolForge

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Related Compounds

1-[5-[[(2S)-6-ethenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;1-[5-[[(2S)-6-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-6-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;molecular hydrogen;oxolane
CID 161422230
[5-[[(2S)-6-ethyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol
CID 138518572
3-acetyl-N-[2-(3-cyclobutyl-3-hydroxypropyl)-4-ethylphenyl]-4-hydroxybenzenesulfonamide
CID 157390492
4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride
CID 159456541
CID 158563769
CID 158563769
[5-[(2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-[(1,1-dioxothiolan-3-yl)methoxy]phenyl]methanol
CID 146650248
methyl 5-[(6-ethyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzoate
CID 138518307
[5-[(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol
CID 138518109
1-[5-[(2-ethyl-6-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone
CID 157462031
[5-[(6-chloro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol
CID 138518379
[5-[[(2S)-2,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol
CID 155032042
methyl 5-[[2-cyclopropyl-6-(2,3-dihydrofuran-2-yl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)benzoate
CID 146650871

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane?
The IUPAC name of 3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane (CID 159655748) is 3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane.
What is the SMILES notation for 3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane?
The canonical SMILES for 3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane is C.C1CCOC1.C1CCOC1.CC(=O)c1cc(S(=O)(=O)Cl)ccc1O.CCc1ccc(N)c(CC[C@@H](O)C2CC2)c1.CCc1ccc(NS(=O)(=O)c2ccc(O)c(C(C)=O)c2)c(CC[C@@H](O)C2CC2)c1.CCc1ccc2c(c1)CC[C@@H](C1CC1)N2S(=O)(=O)c1ccc(O)c(C(C)=O)c1.CCc1ccc2c(c1)CC[C@@H](C1CC1)N2S(=O)(=O)c1ccc(OCC2CCOCC2)c(C(C)=O)c1.CCc1ccc2c(c1)CC[C@@H](C1CC1)N2S(=O)(=O)c1ccc(OCC2CCOCC2)c(CO)c1.Cc1ccc(S(=O)(=O)OCC2CCOCC2)cc1.
What is the InChIKey of 3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane?
The InChIKey is MSDNHHLVWLVZRK-QCJVGRGGSA-N. The full InChI is InChI=1S/C28H35NO5S.C27H35NO5S.C22H27NO5S.C22H25NO4S.C14H21NO.C13H18O4S.C8H7ClO4S.2C4H8O.CH4/c1-3-20-4-9-27-23(16-20)7-10-26(22-5-6-22)29(27)35(31,32)24-8-11-28(25(17-24)19(2)30)34-18-21-12-14-33-15-13-21;1-2-19-3-8-26-22(15-19)6-9-25(21-4-5-21)28(26)34(30,31)24-7-10-27(23(16-24)17-29)33-18-20-11-13-32-14-12-20;1-3-15-4-9-20(17(12-15)7-10-21(25)16-5-6-16)23-29(27,28)18-8-11-22(26)19(13-18)14(2)24;1-3-15-4-9-21-17(12-15)7-10-20(16-5-6-16)23(21)28(26,27)18-8-11-22(25)19(13-18)14(2)24;1-2-10-3-7-13(15)12(9-10)6-8-14(16)11-4-5-11;1-11-2-4-13(5-3-11)18(14,15)17-10-12-6-8-16-9-7-12;1-5(10)7-4-6(14(9,12)13)2-3-8(7)11;2*1-2-4-5-3-1;/h4,8-9,11,16-17,21-22,26H,3,5-7,10,12-15,18H2,1-2H3;3,7-8,10,15-16,20-21,25,29H,2,4-6,9,11-14,17-18H2,1H3;4,8-9,11-13,16,21,23,25-26H,3,5-7,10H2,1-2H3;4,8-9,11-13,16,20,25H,3,5-7,10H2,1-2H3;3,7,9,11,14,16H,2,4-6,8,15H2,1H3;2-5,12H,6-10H2,1H3;2-4,11H,1H3;2*1-4H2;1H4/t26-;25-;21-;20-;14-;;;;;/m00101...../s1.
What are the key properties of 3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane?
3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane has a molecular weight of 2684.94 g/mol, XLogP of 25.80, 41 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane is sourced from PubChem (CID 159655748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).