(2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide

C24H29N3O4S — CID 24717448

IUPAC(2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H29N3O4S/c28-23(18-8-3-1-4-9-18)25-19-13-15-20(16-14-19)26-24(29)22-12-7-17-27(22)32(30,31)21-10-5-2-6-11-21/h1-6,8-11,19-20,22H,7,12-17H2,(H,25,28)(H,26,29)/t19?,20?,22-/m1/s1
InChIKeyIJLGLHSVJWDUBX-QETWGEEDSA-N
MW455.58 g/mol
LogP2.70
Rot. Bonds6

About (2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide

(2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide (PubChem CID 24717448) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is (2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
PubChem CID24717448
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name(2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H29N3O4S/c28-23(18-8-3-1-4-9-18)25-19-13-15-20(16-14-19)26-24(29)22-12-7-17-27(22)32(30,31)21-10-5-2-6-11-21/h1-6,8-11,19-20,22H,7,12-17H2,(H,25,28)(H,26,29)/t19?,20?,22-/m1/s1
InChIKeyIJLGLHSVJWDUBX-QETWGEEDSA-N
XLogP2.70
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 43011395
(2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 46105668
(2S)-1-(4-fluorophenyl)sulfonyl-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide
CID 51071510
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide
CID 555761
(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide
CID 92887706
(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide
CID 24617140
N-cyclopropyl-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 46596105
N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 43062096
1-(benzenesulfonyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 55735445

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide (CID 24717448) is (2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide is O=C(NC1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of (2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide?
The InChIKey is IJLGLHSVJWDUBX-QETWGEEDSA-N. The full InChI is InChI=1S/C24H29N3O4S/c28-23(18-8-3-1-4-9-18)25-19-13-15-20(16-14-19)26-24(29)22-12-7-17-27(22)32(30,31)21-10-5-2-6-11-21/h1-6,8-11,19-20,22H,7,12-17H2,(H,25,28)(H,26,29)/t19?,20?,22-/m1/s1.
What are the key properties of (2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide?
(2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 24717448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).