N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

C17H19N5O3S — CID 55823818

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C17H19N5O3S/c1-21(11-16-19-14-7-3-4-8-15(14)20-16)17(23)12-22(2)26(24,25)13-6-5-9-18-10-13/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyVDNSCNGRYOCIPN-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.24
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (PubChem CID 55823818) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
PubChem CID55823818
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C17H19N5O3S/c1-21(11-16-19-14-7-3-4-8-15(14)20-16)17(23)12-22(2)26(24,25)13-6-5-9-18-10-13/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyVDNSCNGRYOCIPN-UHFFFAOYSA-N
XLogP1.24
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 55683377
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55940255
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
CID 47159982
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55857428
N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide
CID 55906277
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 46492219
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide
CID 86283854
N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide
CID 35385421
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55666422
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide
CID 55690455
N-(1H-benzimidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 36516329
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 35385496

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (CID 55823818) is N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is CN(Cc1nc2ccccc2[nH]1)C(=O)CN(C)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The InChIKey is VDNSCNGRYOCIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-21(11-16-19-14-7-3-4-8-15(14)20-16)17(23)12-22(2)26(24,25)13-6-5-9-18-10-13/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide has a molecular weight of 373.44 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 55823818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).