(2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C26H29N3O7S2 — CID 98397285

IUPAC(2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(C)cc3)ccc2C)cc1
InChIInChI=1S/C26H29N3O7S2/c1-17-4-12-23(13-5-17)38(34,35)29-16-21(30)15-24(29)26(31)27-20-7-6-18(2)25(14-20)37(32,33)28-19-8-10-22(36-3)11-9-19/h4-14,21,24,28,30H,15-16H2,1-3H3,(H,27,31)/t21-,24-/m1/s1
InChIKeyCVOVVFDHILIZOV-ZJSXRUAMSA-N
MW559.67 g/mol
LogP2.88
Rot. Bonds8

About (2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

(2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 98397285) has the molecular formula C26H29N3O7S2 and a molecular weight of 559.67 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID98397285
Molecular FormulaC26H29N3O7S2
Molecular Weight559.67 g/mol
Exact Mass559.14
IUPAC Name(2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(C)cc3)ccc2C)cc1
InChIInChI=1S/C26H29N3O7S2/c1-17-4-12-23(13-5-17)38(34,35)29-16-21(30)15-24(29)26(31)27-20-7-6-18(2)25(14-20)37(32,33)28-19-8-10-22(36-3)11-9-19/h4-14,21,24,28,30H,15-16H2,1-3H3,(H,27,31)/t21-,24-/m1/s1
InChIKeyCVOVVFDHILIZOV-ZJSXRUAMSA-N
XLogP2.88
TPSA142.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.67
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 51157569
methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 54043412
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4851871
(3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide
CID 25137513
1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide
CID 169284552
(2S)-N-(3,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 26736936
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497
(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588
(2S)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 37258868
ethyl 2-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate
CID 617551
3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 30451320
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126415722

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 98397285) is (2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(C)cc3)ccc2C)cc1.
What is the InChIKey of (2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is CVOVVFDHILIZOV-ZJSXRUAMSA-N. The full InChI is InChI=1S/C26H29N3O7S2/c1-17-4-12-23(13-5-17)38(34,35)29-16-21(30)15-24(29)26(31)27-20-7-6-18(2)25(14-20)37(32,33)28-19-8-10-22(36-3)11-9-19/h4-14,21,24,28,30H,15-16H2,1-3H3,(H,27,31)/t21-,24-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 559.67 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 98397285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).