2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide

C23H30N2O6S — CID 43892688

IUPAC2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCOc1ccc(N(CC(=O)N(C)C2CCCCC2O)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C23H30N2O6S/c1-24(19-11-7-8-12-20(19)26)23(27)16-25(32(28,29)18-9-5-4-6-10-18)17-13-14-21(30-2)22(15-17)31-3/h4-6,9-10,13-15,19-20,26H,7-8,11-12,16H2,1-3H3
InChIKeyYEEZDQBDIBIYNB-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.66
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide

2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 43892688) has the molecular formula C23H30N2O6S and a molecular weight of 462.57 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide
PubChem CID43892688
Molecular FormulaC23H30N2O6S
Molecular Weight462.57 g/mol
Exact Mass462.18
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCOc1ccc(N(CC(=O)N(C)C2CCCCC2O)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C23H30N2O6S/c1-24(19-11-7-8-12-20(19)26)23(27)16-25(32(28,29)18-9-5-4-6-10-18)17-13-14-21(30-2)22(15-17)31-3/h4-6,9-10,13-15,19-20,26H,7-8,11-12,16H2,1-3H3
InChIKeyYEEZDQBDIBIYNB-UHFFFAOYSA-N
XLogP2.66
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide
CID 43897751
N-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 43894224
N-cyclohexyl-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 92684262
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43894457
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43897141
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide
CID 42979745
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide
CID 43891625
(2R)-2-[[2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetyl]-benzylamino]-N-cyclopentyl-3-phenylpropanamide
CID 125095940
2-[[2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 133198523
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43896648
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 51343527
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide
CID 998314

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide (CID 43892688) is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide is COc1ccc(N(CC(=O)N(C)C2CCCCC2O)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is YEEZDQBDIBIYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S/c1-24(19-11-7-8-12-20(19)26)23(27)16-25(32(28,29)18-9-5-4-6-10-18)17-13-14-21(30-2)22(15-17)31-3/h4-6,9-10,13-15,19-20,26H,7-8,11-12,16H2,1-3H3.
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide?
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 462.57 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 43892688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).