4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide

C23H28N4O3S — CID 25352191

IUPAC4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C23H28N4O3S/c1-3-16(2)26-31(29,30)19-12-10-17(11-13-19)23(28)27-14-6-7-18(15-27)22-24-20-8-4-5-9-21(20)25-22/h4-5,8-13,16,18,26H,3,6-7,14-15H2,1-2H3,(H,24,25)/t16-,18+/m0/s1
InChIKeyWEBFCNDHZMJKBE-FUHWJXTLSA-N
MW440.57 g/mol
LogP3.66
Rot. Bonds6

About 4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide

4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide (PubChem CID 25352191) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide
PubChem CID25352191
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C23H28N4O3S/c1-3-16(2)26-31(29,30)19-12-10-17(11-13-19)23(28)27-14-6-7-18(15-27)22-24-20-8-4-5-9-21(20)25-22/h4-5,8-13,16,18,26H,3,6-7,14-15H2,1-2H3,(H,24,25)/t16-,18+/m0/s1
InChIKeyWEBFCNDHZMJKBE-FUHWJXTLSA-N
XLogP3.66
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 55942405
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone
CID 46692363
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 55483800
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 42932459
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 90505752
(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 66785121
4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one
CID 70782693

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide?
The IUPAC name of 4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide (CID 25352191) is 4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide is CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of 4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide?
The InChIKey is WEBFCNDHZMJKBE-FUHWJXTLSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-3-16(2)26-31(29,30)19-12-10-17(11-13-19)23(28)27-14-6-7-18(15-27)22-24-20-8-4-5-9-21(20)25-22/h4-5,8-13,16,18,26H,3,6-7,14-15H2,1-2H3,(H,24,25)/t16-,18+/m0/s1.
What are the key properties of 4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide?
4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide has a molecular weight of 440.57 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 25352191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).