(2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide

C17H27N3O4S — CID 7450039

IUPAC(2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)N(C)C)[C@H]2C(C)C)cc1
InChIInChI=1S/C17H27N3O4S/c1-12(2)16-19(11-13(3)20(16)17(21)18(4)5)25(22,23)15-9-7-14(24-6)8-10-15/h7-10,12-13,16H,11H2,1-6H3/t13-,16+/m1/s1
InChIKeyYHGMKICHGBYMLR-CJNGLKHVSA-N
MW369.49 g/mol
LogP2.05
Rot. Bonds4

About (2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide

(2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide (PubChem CID 7450039) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is (2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide
PubChem CID7450039
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name(2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)N(C)C)[C@H]2C(C)C)cc1
InChIInChI=1S/C17H27N3O4S/c1-12(2)16-19(11-13(3)20(16)17(21)18(4)5)25(22,23)15-9-7-14(24-6)8-10-15/h7-10,12-13,16H,11H2,1-6H3/t13-,16+/m1/s1
InChIKeyYHGMKICHGBYMLR-CJNGLKHVSA-N
XLogP2.05
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
(2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide
CID 7450033
1-[(2R,5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone
CID 124805816
1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one
CID 29057081
(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 51708398
2-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]propanoic acid
CID 116681809
(2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine
CID 16663379
1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742444
methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 54043412
4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine
CID 17371171
methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate
CID 10782506
[(2S,5R)-4-(4-methoxyphenyl)sulfonyl-2,5-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 146441655

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide?
The IUPAC name of (2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide (CID 7450039) is (2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide.
What is the SMILES notation for (2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide?
The canonical SMILES for (2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide is COc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)N(C)C)[C@H]2C(C)C)cc1.
What is the InChIKey of (2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide?
The InChIKey is YHGMKICHGBYMLR-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-12(2)16-19(11-13(3)20(16)17(21)18(4)5)25(22,23)15-9-7-14(24-6)8-10-15/h7-10,12-13,16H,11H2,1-6H3/t13-,16+/m1/s1.
What are the key properties of (2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide?
(2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide is sourced from PubChem (CID 7450039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).