N-(2,3-dimethylcyclohexyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide

C14H24N4O3S — CID 6620268

IUPACN-(2,3-dimethylcyclohexyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
SMILESCC1CCCC(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)C1C
InChIInChI=1S/C14H24N4O3S/c1-10-5-4-6-12(11(10)2)17-13(19)8-18(3)22(20,21)14-7-15-9-16-14/h7,9-12H,4-6,8H2,1-3H3,(H,15,16)(H,17,19)
InChIKeyHVDSAAYCEAZJEP-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.97
Rot. Bonds5

About N-(2,3-dimethylcyclohexyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide

N-(2,3-dimethylcyclohexyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide (PubChem CID 6620268) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
PubChem CID6620268
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
SMILESCC1CCCC(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)C1C
InChIInChI=1S/C14H24N4O3S/c1-10-5-4-6-12(11(10)2)17-13(19)8-18(3)22(20,21)14-7-15-9-16-14/h7,9-12H,4-6,8H2,1-3H3,(H,15,16)(H,17,19)
InChIKeyHVDSAAYCEAZJEP-UHFFFAOYSA-N
XLogP0.97
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 15998160
N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methyl-N~1~-(4-methylcyclohexyl)glycinamide
CID 16188110
N~1~-cycloheptyl-N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methylglycinamide
CID 16189353
N-(2-ethylhexyl)-1-(1H-imidazol-4-ylsulfonyl)-3-piperidinecarboxamide
CID 5307411
N-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308846
N-cyclohexyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308847
N-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
CID 20856449
N~1~-cyclopentyl-N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methylglycinamide
CID 6620231
N~1~-cyclooctyl-N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methylglycinamide
CID 16189354
N-butyl-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3238989
N-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308293
4-[1-(1H-Imidazole-4-sulfonyl)pyrrolidin-3-YL]-N-methylpiperidine-1-carboxamide
CID 91910251

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide (CID 6620268) is N-(2,3-dimethylcyclohexyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide is CC1CCCC(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The InChIKey is HVDSAAYCEAZJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-10-5-4-6-12(11(10)2)17-13(19)8-18(3)22(20,21)14-7-15-9-16-14/h7,9-12H,4-6,8H2,1-3H3,(H,15,16)(H,17,19).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
N-(2,3-dimethylcyclohexyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide has a molecular weight of 328.44 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide is sourced from PubChem (CID 6620268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).