(2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide

C23H27N3O4S — CID 92730158

IUPAC(2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3C(=O)NC3CC3)cc2)cc1C
InChIInChI=1S/C23H27N3O4S/c1-15-5-12-20(14-16(15)2)31(29,30)25-19-8-6-17(7-9-19)23(28)26-13-3-4-21(26)22(27)24-18-10-11-18/h5-9,12,14,18,21,25H,3-4,10-11,13H2,1-2H3,(H,24,27)/t21-/m1/s1
InChIKeyICGMSPBQNXXAOA-OAQYLSRUSA-N
MW441.55 g/mol
LogP2.99
Rot. Bonds6

About (2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide

(2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide (PubChem CID 92730158) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
PubChem CID92730158
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name(2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3C(=O)NC3CC3)cc2)cc1C
InChIInChI=1S/C23H27N3O4S/c1-15-5-12-20(14-16(15)2)31(29,30)25-19-8-6-17(7-9-19)23(28)26-13-3-4-21(26)22(27)24-18-10-11-18/h5-9,12,14,18,21,25H,3-4,10-11,13H2,1-2H3,(H,24,27)/t21-/m1/s1
InChIKeyICGMSPBQNXXAOA-OAQYLSRUSA-N
XLogP2.99
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830884
N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830965
N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830865
(2S)-1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 92728389
N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide
CID 46678397
N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide
CID 52507139
N-cyclopropyl-1-[4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 55954695
N-cyclopentyl-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 53015958
(2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92729944
N-(3-methylbutyl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide
CID 50831088
(2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 92729981
[2-(cyclopropylamino)-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate
CID 7880470

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide (CID 92730158) is (2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3C(=O)NC3CC3)cc2)cc1C.
What is the InChIKey of (2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is ICGMSPBQNXXAOA-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-15-5-12-20(14-16(15)2)31(29,30)25-19-8-6-17(7-9-19)23(28)26-13-3-4-21(26)22(27)24-18-10-11-18/h5-9,12,14,18,21,25H,3-4,10-11,13H2,1-2H3,(H,24,27)/t21-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide?
(2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 92730158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).