1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide

C17H24N4O4S — CID 49454117

IUPAC1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1
InChIInChI=1S/C17H24N4O4S/c1-18(2)16(22)12-7-9-21(10-8-12)26(24,25)13-5-6-14-15(11-13)20(4)17(23)19(14)3/h5-6,11-12H,7-10H2,1-4H3
InChIKeyPJBXRQHLCCIHNC-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.37
Rot. Bonds3

About 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide

1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 49454117) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
PubChem CID49454117
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1
InChIInChI=1S/C17H24N4O4S/c1-18(2)16(22)12-7-9-21(10-8-12)26(24,25)13-5-6-14-15(11-13)20(4)17(23)19(14)3/h5-6,11-12H,7-10H2,1-4H3
InChIKeyPJBXRQHLCCIHNC-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide
CID 49456349
1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one
CID 146041276
1,3-dimethyl-5-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]sulfonylbenzimidazol-2-one
CID 95832120
5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-1,3-dimethylbenzimidazol-2-one
CID 49454545
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
N-cyclopropyl-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 55636271
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
N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 110350785
1-(2,4-dimethoxyphenyl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
CID 110350848

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide (CID 49454117) is 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1.
What is the InChIKey of 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is PJBXRQHLCCIHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-18(2)16(22)12-7-9-21(10-8-12)26(24,25)13-5-6-14-15(11-13)20(4)17(23)19(14)3/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide?
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 49454117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).