N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide

C18H28N2O3S — CID 55537250

IUPACN-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C2CCCCC2)cc1C
InChIInChI=1S/C18H28N2O3S/c1-14-10-11-17(12-15(14)2)24(22,23)19(3)13-18(21)20(4)16-8-6-5-7-9-16/h10-12,16H,5-9,13H2,1-4H3
InChIKeyVONFNKRLJUUJMH-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.72
Rot. Bonds5

About N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide

N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 55537250) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID55537250
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C2CCCCC2)cc1C
InChIInChI=1S/C18H28N2O3S/c1-14-10-11-17(12-15(14)2)24(22,23)19(3)13-18(21)20(4)16-8-6-5-7-9-16/h10-12,16H,5-9,13H2,1-4H3
InChIKeyVONFNKRLJUUJMH-UHFFFAOYSA-N
XLogP2.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 32919524
N-cyclohexyl-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30306216
N-cyclohexyl-N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 55327533
N-cyclohexyl-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 51147994
N-cyclohexyl-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 92684262
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442080
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide
CID 92679532
N-cyclohexyl-2-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]-N-methylacetamide
CID 50808433
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 18204253
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-cyclopentyl-N-methylacetamide
CID 92684263
N,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride
CID 119491114
N-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide
CID 99956862

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide (CID 55537250) is N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C2CCCCC2)cc1C.
What is the InChIKey of N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is VONFNKRLJUUJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14-10-11-17(12-15(14)2)24(22,23)19(3)13-18(21)20(4)16-8-6-5-7-9-16/h10-12,16H,5-9,13H2,1-4H3.
What are the key properties of N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide?
N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 352.50 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 55537250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).