4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide

C19H22N4O4S — CID 138994053

IUPAC4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)co1
InChIInChI=1S/C19H22N4O4S/c1-22(2)28(25,26)17-10-14(12-27-17)19(24)23-9-5-6-13(11-23)18-20-15-7-3-4-8-16(15)21-18/h3-4,7-8,10,12-13H,5-6,9,11H2,1-2H3,(H,20,21)
InChIKeyTYMDIQGOTGRCBV-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.43
Rot. Bonds4

About 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide

4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 138994053) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide
PubChem CID138994053
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)co1
InChIInChI=1S/C19H22N4O4S/c1-22(2)28(25,26)17-10-14(12-27-17)19(24)23-9-5-6-13(11-23)18-20-15-7-3-4-8-16(15)21-18/h3-4,7-8,10,12-13H,5-6,9,11H2,1-2H3,(H,20,21)
InChIKeyTYMDIQGOTGRCBV-UHFFFAOYSA-N
XLogP2.43
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[(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
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
N,N-dimethyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]furan-2-sulfonamide
CID 138993851
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95897770
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 55483800
4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one
CID 70782693
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 42932458
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone
CID 91946817
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 91946785

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide (CID 138994053) is 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide is CN(C)S(=O)(=O)c1cc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)co1.
What is the InChIKey of 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is TYMDIQGOTGRCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-22(2)28(25,26)17-10-14(12-27-17)19(24)23-9-5-6-13(11-23)18-20-15-7-3-4-8-16(15)21-18/h3-4,7-8,10,12-13H,5-6,9,11H2,1-2H3,(H,20,21).
What are the key properties of 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide?
4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 402.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 138994053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).