(3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide

C20H29N3O4S — CID 95784332

IUPAC(3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1C[C@@H](N2CCCC2)[C@@H](O)C1
InChIInChI=1S/C20H29N3O4S/c24-19-14-23(13-18(19)22-10-3-4-11-22)20(25)21-15-6-5-9-17(12-15)28(26,27)16-7-1-2-8-16/h5-6,9,12,16,18-19,24H,1-4,7-8,10-11,13-14H2,(H,21,25)/t18-,19+/m1/s1
InChIKeyPZYLWCRGURBKTI-MOPGFXCFSA-N
MW407.54 g/mol
LogP2.08
Rot. Bonds4

About (3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide

(3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 95784332) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is (3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide
PubChem CID95784332
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC Name(3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1C[C@@H](N2CCCC2)[C@@H](O)C1
InChIInChI=1S/C20H29N3O4S/c24-19-14-23(13-18(19)22-10-3-4-11-22)20(25)21-15-6-5-9-17(12-15)28(26,27)16-7-1-2-8-16/h5-6,9,12,16,18-19,24H,1-4,7-8,10-11,13-14H2,(H,21,25)/t18-,19+/m1/s1
InChIKeyPZYLWCRGURBKTI-MOPGFXCFSA-N
XLogP2.08
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 52518848
(3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 95268330
(3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide
CID 74233056
N-(3-cyclopentylsulfonylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
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(2R)-N-(3-cyclopentylsulfonylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 52909972
N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46410338
N-(3-cyclopentylsulfonylphenyl)thiophene-2-carboxamide
CID 39209914
N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide
CID 71809355
3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 47185999
(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 38150508
N-(3-cyclopentylsulfonylphenyl)thiophene-3-carboxamide
CID 39208667
2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide
CID 39209795

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide (CID 95784332) is (3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide is O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1C[C@@H](N2CCCC2)[C@@H](O)C1.
What is the InChIKey of (3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is PZYLWCRGURBKTI-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H29N3O4S/c24-19-14-23(13-18(19)22-10-3-4-11-22)20(25)21-15-6-5-9-17(12-15)28(26,27)16-7-1-2-8-16/h5-6,9,12,16,18-19,24H,1-4,7-8,10-11,13-14H2,(H,21,25)/t18-,19+/m1/s1.
What are the key properties of (3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
(3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 95784332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).