2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide

C23H30N2O3S — CID 92679532

IUPAC2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide
SMILESCc1cc(C)cc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H30N2O3S/c1-18-14-19(2)16-21(15-18)25(29(27,28)22-12-8-5-9-13-22)17-23(26)24(3)20-10-6-4-7-11-20/h5,8-9,12-16,20H,4,6-7,10-11,17H2,1-3H3
InChIKeyMBFVNVOUOBIKRM-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.29
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide

2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide (PubChem CID 92679532) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide
PubChem CID92679532
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide
SMILESCc1cc(C)cc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H30N2O3S/c1-18-14-19(2)16-21(15-18)25(29(27,28)22-12-8-5-9-13-22)17-23(26)24(3)20-10-6-4-7-11-20/h5,8-9,12-16,20H,4,6-7,10-11,17H2,1-3H3
InChIKeyMBFVNVOUOBIKRM-UHFFFAOYSA-N
XLogP4.29
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide
CID 26565810
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-cyclopentyl-N-methylacetamide
CID 92684263
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide
CID 42979745
N-cyclohexyl-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30306216
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide
CID 51345206
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 28633740
2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]-benzylamino]-N-cyclohexyl-3-phenylpropanamide
CID 133175607
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide
CID 46770900
(2R)-2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]-(2-phenylethyl)amino]-N-cyclohexylbutanamide
CID 100602083
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-cyclohexyl-N-methylacetamide
CID 46764464
(2R)-2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 125084765
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 43909813

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide (CID 92679532) is 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide is Cc1cc(C)cc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide?
The InChIKey is MBFVNVOUOBIKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-18-14-19(2)16-21(15-18)25(29(27,28)22-12-8-5-9-13-22)17-23(26)24(3)20-10-6-4-7-11-20/h5,8-9,12-16,20H,4,6-7,10-11,17H2,1-3H3.
What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide?
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide has a molecular weight of 414.57 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 92679532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).