(2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C26H33N3O5S — CID 46105668

IUPAC(2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)NC2CCC(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C26H33N3O5S/c1-18-5-15-23(16-6-18)35(32,33)29-17-3-4-24(29)26(31)28-21-11-9-20(10-12-21)27-25(30)19-7-13-22(34-2)14-8-19/h5-8,13-16,20-21,24H,3-4,9-12,17H2,1-2H3,(H,27,30)(H,28,31)/t20?,21?,24-/m1/s1
InChIKeyVXZPICJZMWCUJC-SLXFGWRHSA-N
MW499.63 g/mol
LogP3.01
Rot. Bonds7

About (2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

(2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 46105668) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is (2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID46105668
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC Name(2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)NC2CCC(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C26H33N3O5S/c1-18-5-15-23(16-6-18)35(32,33)29-17-3-4-24(29)26(31)28-21-11-9-20(10-12-21)27-25(30)19-7-13-22(34-2)14-8-19/h5-8,13-16,20-21,24H,3-4,9-12,17H2,1-2H3,(H,27,30)(H,28,31)/t20?,21?,24-/m1/s1
InChIKeyVXZPICJZMWCUJC-SLXFGWRHSA-N
XLogP3.01
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-1-(4-fluorophenyl)sulfonyl-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide
CID 51071510
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110394931
N-cyclopropyl-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 46596105
(2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 24717448
methyl 4-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 1304571
methyl 4-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 1304570
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 43011395
(2S)-3-(4-methoxyphenyl)-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 21129666
(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 46105668) is (2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is COc1ccc(C(=O)NC2CCC(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of (2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is VXZPICJZMWCUJC-SLXFGWRHSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-18-5-15-23(16-6-18)35(32,33)29-17-3-4-24(29)26(31)28-21-11-9-20(10-12-21)27-25(30)19-7-13-22(34-2)14-8-19/h5-8,13-16,20-21,24H,3-4,9-12,17H2,1-2H3,(H,27,30)(H,28,31)/t20?,21?,24-/m1/s1.
What are the key properties of (2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 499.63 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 46105668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).