N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

C21H24N4O3S — CID 112791077

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H24N4O3S/c1-15-6-4-5-13-25(15)29(27,28)17-11-9-16(10-12-17)21(26)22-14-20-23-18-7-2-3-8-19(18)24-20/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyQJMFYNQMMUPDGQ-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.06
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 112791077) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID112791077
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H24N4O3S/c1-15-6-4-5-13-25(15)29(27,28)17-11-9-16(10-12-17)21(26)22-14-20-23-18-7-2-3-8-19(18)24-20/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyQJMFYNQMMUPDGQ-UHFFFAOYSA-N
XLogP3.06
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55395914
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46628535
N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide
CID 18105180
4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55657177
methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 40881781
N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2333186
N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 7546016
N-(1,3-benzothiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 40616224
N'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide
CID 55351992
N-(1H-benzimidazol-2-ylmethyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 112791112
4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-nitrophenyl)methyl]benzamide
CID 60535859
N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813649

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 112791077) is N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is QJMFYNQMMUPDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-15-6-4-5-13-25(15)29(27,28)17-11-9-16(10-12-17)21(26)22-14-20-23-18-7-2-3-8-19(18)24-20/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 412.52 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 112791077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).