N-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide

C22H19ClN4O3S2 — CID 16830913

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C1CCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C22H19ClN4O3S2/c23-19-10-11-20(31-19)32(29,30)27-12-4-9-18(27)22(28)24-15-6-3-5-14(13-15)21-25-16-7-1-2-8-17(16)26-21/h1-3,5-8,10-11,13,18H,4,9,12H2,(H,24,28)(H,25,26)
InChIKeyNXUCKBHTGLSVNW-UHFFFAOYSA-N
MW487.01 g/mol
LogP4.74
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 16830913) has the molecular formula C22H19ClN4O3S2 and a molecular weight of 487.01 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID16830913
Molecular FormulaC22H19ClN4O3S2
Molecular Weight487.01 g/mol
Exact Mass486.06
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C1CCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C22H19ClN4O3S2/c23-19-10-11-20(31-19)32(29,30)27-12-4-9-18(27)22(28)24-15-6-3-5-14(13-15)21-25-16-7-1-2-8-17(16)26-21/h1-3,5-8,10-11,13,18H,4,9,12H2,(H,24,28)(H,25,26)
InChIKeyNXUCKBHTGLSVNW-UHFFFAOYSA-N
XLogP4.74
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.01
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614870
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614869
1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16830926
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 51646909
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrrolidine-2-carboxamide
CID 16830859
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide
CID 16830844
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093436
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 24669179
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide
CID 25303397
(2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 41397880
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 51648877
1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 16854813

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide (CID 16830913) is N-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C1CCCN1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is NXUCKBHTGLSVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S2/c23-19-10-11-20(31-19)32(29,30)27-12-4-9-18(27)22(28)24-15-6-3-5-14(13-15)21-25-16-7-1-2-8-17(16)26-21/h1-3,5-8,10-11,13,18H,4,9,12H2,(H,24,28)(H,25,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 487.01 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 16830913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).