2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide

C22H28N2O4S — CID 1141877

IUPAC2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide
SMILESCCOc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-2-28-20-15-13-19(14-16-20)24(29(26,27)21-11-7-4-8-12-21)17-22(25)23-18-9-5-3-6-10-18/h4,7-8,11-16,18H,2-3,5-6,9-10,17H2,1H3,(H,23,25)
InChIKeyWAIAZUCUFWOTBQ-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.73
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide (PubChem CID 1141877) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide
PubChem CID1141877
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide
SMILESCCOc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-2-28-20-15-13-19(14-16-20)24(29(26,27)21-11-7-4-8-12-21)17-22(25)23-18-9-5-3-6-10-18/h4,7-8,11-16,18H,2-3,5-6,9-10,17H2,1H3,(H,23,25)
InChIKeyWAIAZUCUFWOTBQ-UHFFFAOYSA-N
XLogP3.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)anilino]-N-cyclohexylacetamide
CID 555477
N-cyclohexyl-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1100054
2-[[2-[N-(benzenesulfonyl)-4-ethoxyanilino]acetyl]-benzylamino]-N-cyclohexylpropanamide
CID 132631487
(2S)-2-[[2-[N-(benzenesulfonyl)-4-ethoxyanilino]acetyl]-benzylamino]-N-cyclohexylbutanamide
CID 100523005
N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 2927933
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 3142639
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-cyclopropylacetamide
CID 126034868
(2S)-2-[[2-[N-(benzenesulfonyl)-4-ethoxyanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100550099
N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2982325
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide
CID 51345206
(2S)-2-[[2-[N-(benzenesulfonyl)-4-ethoxyanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100563471
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide
CID 2883874

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide (CID 1141877) is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide is CCOc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide?
The InChIKey is WAIAZUCUFWOTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-2-28-20-15-13-19(14-16-20)24(29(26,27)21-11-7-4-8-12-21)17-22(25)23-18-9-5-3-6-10-18/h4,7-8,11-16,18H,2-3,5-6,9-10,17H2,1H3,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide?
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide has a molecular weight of 416.54 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide is sourced from PubChem (CID 1141877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).