(2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C22H20N4O3S2 — CID 41397880

IUPAC(2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[C@H]1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C22H20N4O3S2/c27-22(19-11-5-13-26(19)31(28,29)20-12-6-14-30-20)25-16-8-2-1-7-15(16)21-23-17-9-3-4-10-18(17)24-21/h1-4,6-10,12,14,19H,5,11,13H2,(H,23,24)(H,25,27)/t19-/m1/s1
InChIKeyWKKFBJWYVQNBOE-LJQANCHMSA-N
MW452.56 g/mol
LogP4.08
Rot. Bonds5

About (2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

(2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 41397880) has the molecular formula C22H20N4O3S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is (2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID41397880
Molecular FormulaC22H20N4O3S2
Molecular Weight452.56 g/mol
Exact Mass452.10
IUPAC Name(2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[C@H]1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C22H20N4O3S2/c27-22(19-11-5-13-26(19)31(28,29)20-12-6-14-30-20)25-16-8-2-1-7-15(16)21-23-17-9-3-4-10-18(17)24-21/h1-4,6-10,12,14,19H,5,11,13H2,(H,23,24)(H,25,27)/t19-/m1/s1
InChIKeyWKKFBJWYVQNBOE-LJQANCHMSA-N
XLogP4.08
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40839279
1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 78798447
N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341707
(2R)-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799494
(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841
N-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 16830913
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 25334740
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093436
(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614835
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
N-(2,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826422

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 41397880) is (2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[C@H]1CCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of (2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is WKKFBJWYVQNBOE-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20N4O3S2/c27-22(19-11-5-13-26(19)31(28,29)20-12-6-14-30-20)25-16-8-2-1-7-15(16)21-23-17-9-3-4-10-18(17)24-21/h1-4,6-10,12,14,19H,5,11,13H2,(H,23,24)(H,25,27)/t19-/m1/s1.
What are the key properties of (2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 41397880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).