(2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide

C21H23FN4O3S — CID 41015418

IUPAC(2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCCn1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)nc2ccccc21
InChIInChI=1S/C21H23FN4O3S/c1-2-13-25-17-10-5-4-9-16(17)23-21(25)24-20(27)18-11-7-14-26(18)30(28,29)19-12-6-3-8-15(19)22/h3-6,8-10,12,18H,2,7,11,13-14H2,1H3,(H,23,24,27)/t18-/m1/s1
InChIKeyCJYQGZQEDYXPHZ-GOSISDBHSA-N
MW430.51 g/mol
LogP3.38
Rot. Bonds6

About (2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide

(2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 41015418) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is (2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID41015418
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC Name(2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCCn1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)nc2ccccc21
InChIInChI=1S/C21H23FN4O3S/c1-2-13-25-17-10-5-4-9-16(17)23-21(25)24-20(27)18-11-7-14-26(18)30(28,29)19-12-6-3-8-15(19)22/h3-6,8-10,12,18H,2,7,11,13-14H2,1H3,(H,23,24,27)/t18-/m1/s1
InChIKeyCJYQGZQEDYXPHZ-GOSISDBHSA-N
XLogP3.38
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 136580553
1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 34052499
1-(2-fluorophenyl)sulfonyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 24644538
1-(2-fluorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 24644596
(2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 11936672
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 24646697
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377
tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 29322747
(3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25356215
N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 154744987
N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 24639477

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide (CID 41015418) is (2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide is CCCn1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)nc2ccccc21.
What is the InChIKey of (2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is CJYQGZQEDYXPHZ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c1-2-13-25-17-10-5-4-9-16(17)23-21(25)24-20(27)18-11-7-14-26(18)30(28,29)19-12-6-3-8-15(19)22/h3-6,8-10,12,18H,2,7,11,13-14H2,1H3,(H,23,24,27)/t18-/m1/s1.
What are the key properties of (2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide?
(2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 41015418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).