(2S,4R)-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide

C18H24N2O4S — CID 67474575

IUPAC(2S,4R)-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CN1C(=O)C1CCCCC1
InChIInChI=1S/C18H24N2O4S/c19-17(21)16-11-15(25(23,24)14-9-5-2-6-10-14)12-20(16)18(22)13-7-3-1-4-8-13/h2,5-6,9-10,13,15-16H,1,3-4,7-8,11-12H2,(H2,19,21)/t15-,16+/m1/s1
InChIKeyHGLNPZLBDBWTET-CVEARBPZSA-N
MW364.47 g/mol
LogP1.50
Rot. Bonds4

About (2S,4R)-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide

(2S,4R)-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 67474575) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is (2S,4R)-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID67474575
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name(2S,4R)-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CN1C(=O)C1CCCCC1
InChIInChI=1S/C18H24N2O4S/c19-17(21)16-11-15(25(23,24)14-9-5-2-6-10-14)12-20(16)18(22)13-7-3-1-4-8-13/h2,5-6,9-10,13,15-16H,1,3-4,7-8,11-12H2,(H2,19,21)/t15-,16+/m1/s1
InChIKeyHGLNPZLBDBWTET-CVEARBPZSA-N
XLogP1.50
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-(2-chloro-benzenesulfonyl)-1-cyclohexanecarbonyl-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amide
CID 59543629
(2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 662979
N-[(1R,3R)-3-((S)-1-Amino-2-oxo-2-pyrrolidin-1-yl-ethyl)-cyclopentyl]-4-methanesulfonyl-benzenesulfonamide
CID 9823963
N-[4-((S)-1-Amino-2-oxo-2-thiazolidin-3-yl-ethyl)-cyclohexyl]-4-iodo-benzenesulfonamide
CID 9870934
N-[(1S,3R)-3-((S)-1-Amino-2-oxo-2-pyrrolidin-1-yl-ethyl)-cyclopentyl]-4-methanesulfonyl-benzenesulfonamide
CID 44381910
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide
CID 2999123
N-[4-((S)-1-Amino-2-oxo-2-thiazolidin-3-yl-ethyl)-cyclohexyl]-2,3,4-trifluoro-benzenesulfonamide
CID 44360786
N-[(1S,3S)-3-((S)-1-Amino-2-oxo-2-pyrrolidin-1-yl-ethyl)-cyclopentyl]-4-methanesulfonyl-benzenesulfonamide
CID 44381862
N-[(1S,3S)-3-((S)-1-Amino-2-oxo-2-pyrrolidin-1-yl-ethyl)-cyclopentyl]-2-methanesulfonyl-benzenesulfonamide
CID 44382065
Proline scaffold, 35
CID 42618132
N-((S,E)-5-Phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)pyrrolidine-2-carboxamide
CID 23643997
(4R)-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-1,3-thiazolidine-4-carboxamide
CID 156021760

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide (CID 67474575) is (2S,4R)-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CN1C(=O)C1CCCCC1.
What is the InChIKey of (2S,4R)-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is HGLNPZLBDBWTET-CVEARBPZSA-N. The full InChI is InChI=1S/C18H24N2O4S/c19-17(21)16-11-15(25(23,24)14-9-5-2-6-10-14)12-20(16)18(22)13-7-3-1-4-8-13/h2,5-6,9-10,13,15-16H,1,3-4,7-8,11-12H2,(H2,19,21)/t15-,16+/m1/s1.
What are the key properties of (2S,4R)-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 67474575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).