N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide

C22H25N3O4S — CID 50830965

IUPACN-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC2C(=O)NC2CC2)cc1
InChIInChI=1S/C22H25N3O4S/c1-15-5-2-3-7-20(15)30(28,29)24-18-10-8-16(9-11-18)22(27)25-14-4-6-19(25)21(26)23-17-12-13-17/h2-3,5,7-11,17,19,24H,4,6,12-14H2,1H3,(H,23,26)
InChIKeyLQRSVPZMQKTKBS-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.68
Rot. Bonds6

About N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide (PubChem CID 50830965) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
PubChem CID50830965
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC2C(=O)NC2CC2)cc1
InChIInChI=1S/C22H25N3O4S/c1-15-5-2-3-7-20(15)30(28,29)24-18-10-8-16(9-11-18)22(27)25-14-4-6-19(25)21(26)23-17-12-13-17/h2-3,5,7-11,17,19,24H,4,6,12-14H2,1H3,(H,23,26)
InChIKeyLQRSVPZMQKTKBS-UHFFFAOYSA-N
XLogP2.68
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.68
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
(2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92730158
(2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide
CID 92730108
1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide
CID 50831005
N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830865
(2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92729944
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
(2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 92729981
N-cyclopentyl-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 53015958
(2S)-N-butyl-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92728373
(2R)-N-cyclopropyl-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 94061711
N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide
CID 78857677

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide (CID 50830965) is N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide is Cc1ccccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC2C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is LQRSVPZMQKTKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-15-5-2-3-7-20(15)30(28,29)24-18-10-8-16(9-11-18)22(27)25-14-4-6-19(25)21(26)23-17-12-13-17/h2-3,5,7-11,17,19,24H,4,6,12-14H2,1H3,(H,23,26).
What are the key properties of N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 50830965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).