2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide

C23H30N2O5S — CID 43897141

IUPAC2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2O)c2ccccc2)cc1
InChIInChI=1S/C23H30N2O5S/c1-3-30-19-13-15-20(16-14-19)31(28,29)25(18-9-5-4-6-10-18)17-23(27)24(2)21-11-7-8-12-22(21)26/h4-6,9-10,13-16,21-22,26H,3,7-8,11-12,17H2,1-2H3
InChIKeyQIIUMBQHISANAY-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.04
Rot. Bonds8

About 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide

2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 43897141) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
PubChem CID43897141
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2O)c2ccccc2)cc1
InChIInChI=1S/C23H30N2O5S/c1-3-30-19-13-15-20(16-14-19)31(28,29)25(18-9-5-4-6-10-18)17-23(27)24(2)21-11-7-8-12-22(21)26/h4-6,9-10,13-16,21-22,26H,3,7-8,11-12,17H2,1-2H3
InChIKeyQIIUMBQHISANAY-UHFFFAOYSA-N
XLogP3.04
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43897196
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-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
CID 92681273
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43892688
N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
CID 38018575
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43896648
2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 798122
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide
CID 1141877
2-[benzyl-[2-(N-(4-ethoxyphenyl)sulfonylanilino)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133196660
(2R)-2-[benzyl-[2-(N-(4-ethoxyphenyl)sulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 125056153
(2R)-2-[benzyl-[2-(N-(4-ethoxyphenyl)sulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 125058285

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide (CID 43897141) is 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2O)c2ccccc2)cc1.
What is the InChIKey of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is QIIUMBQHISANAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-3-30-19-13-15-20(16-14-19)31(28,29)25(18-9-5-4-6-10-18)17-23(27)24(2)21-11-7-8-12-22(21)26/h4-6,9-10,13-16,21-22,26H,3,7-8,11-12,17H2,1-2H3.
What are the key properties of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 446.57 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 43897141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).