N-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide

C17H24N4O4S — CID 49456349

IUPACN-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1
InChIInChI=1S/C17H24N4O4S/c1-12(22)18(2)13-7-9-21(10-8-13)26(24,25)14-5-6-15-16(11-14)20(4)17(23)19(15)3/h5-6,11,13H,7-10H2,1-4H3
InChIKeyQACXQEZOGKFIEB-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.51
Rot. Bonds3

About N-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide

N-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide (PubChem CID 49456349) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide
PubChem CID49456349
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC NameN-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1
InChIInChI=1S/C17H24N4O4S/c1-12(22)18(2)13-7-9-21(10-8-13)26(24,25)14-5-6-15-16(11-14)20(4)17(23)19(15)3/h5-6,11,13H,7-10H2,1-4H3
InChIKeyQACXQEZOGKFIEB-UHFFFAOYSA-N
XLogP0.51
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
CID 49454117
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-N-methylacetamide
CID 48737542
1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one
CID 146041276
5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-1,3-dimethylbenzimidazol-2-one
CID 49454545
1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylbenzimidazol-2-one
CID 19259561
1,3-dimethyl-5-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]sulfonylbenzimidazol-2-one
CID 95832120
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide
CID 48737522
5-(4-butanoylpiperazin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 19259560
5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 119959710
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide
CID 49454548
5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 35141963
5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 53000984

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide (CID 49456349) is N-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1.
What is the InChIKey of N-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide?
The InChIKey is QACXQEZOGKFIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-12(22)18(2)13-7-9-21(10-8-13)26(24,25)14-5-6-15-16(11-14)20(4)17(23)19(15)3/h5-6,11,13H,7-10H2,1-4H3.
What are the key properties of N-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide?
N-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide has a molecular weight of 380.47 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 49456349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).