(2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C25H24N4O3S — CID 40839279

IUPAC(2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C25H24N4O3S/c1-17-12-14-18(15-13-17)33(31,32)29-16-6-11-23(29)25(30)28-20-8-3-2-7-19(20)24-26-21-9-4-5-10-22(21)27-24/h2-5,7-10,12-15,23H,6,11,16H2,1H3,(H,26,27)(H,28,30)/t23-/m0/s1
InChIKeyZXTQKTCTSFUPDW-QHCPKHFHSA-N
MW460.56 g/mol
LogP4.33
Rot. Bonds5

About (2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

(2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 40839279) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is (2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID40839279
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name(2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C25H24N4O3S/c1-17-12-14-18(15-13-17)33(31,32)29-16-6-11-23(29)25(30)28-20-8-3-2-7-19(20)24-26-21-9-4-5-10-22(21)27-24/h2-5,7-10,12-15,23H,6,11,16H2,1H3,(H,26,27)(H,28,30)/t23-/m0/s1
InChIKeyZXTQKTCTSFUPDW-QHCPKHFHSA-N
XLogP4.33
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 41397880
1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 78798447
N-(9,10-dioxoanthracen-1-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827859
N-(2-methyl-1,3-dioxoisoindol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16924891
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093436
(2S)-N-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40972131
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 51924839
(2S)-N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 40860794
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide
CID 18585805
N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827643
(2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide
CID 25353300

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 40839279) is (2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of (2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is ZXTQKTCTSFUPDW-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-17-12-14-18(15-13-17)33(31,32)29-16-6-11-23(29)25(30)28-20-8-3-2-7-19(20)24-26-21-9-4-5-10-22(21)27-24/h2-5,7-10,12-15,23H,6,11,16H2,1H3,(H,26,27)(H,28,30)/t23-/m0/s1.
What are the key properties of (2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 40839279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).