2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide

C22H28N2O5S — CID 1100043

IUPAC2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H28N2O5S/c1-28-18-13-14-20(21(15-18)29-2)24(30(26,27)19-11-7-4-8-12-19)16-22(25)23-17-9-5-3-6-10-17/h4,7-8,11-15,17H,3,5-6,9-10,16H2,1-2H3,(H,23,25)
InChIKeyJLRNHEQLOWBMFS-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.35
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide

2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide (PubChem CID 1100043) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide
PubChem CID1100043
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H28N2O5S/c1-28-18-13-14-20(21(15-18)29-2)24(30(26,27)19-11-7-4-8-12-19)16-22(25)23-17-9-5-3-6-10-17/h4,7-8,11-15,17H,3,5-6,9-10,16H2,1-2H3,(H,23,25)
InChIKeyJLRNHEQLOWBMFS-UHFFFAOYSA-N
XLogP3.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280380
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide
CID 3139224
N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1095298
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide
CID 1203936
N-cyclohexyl-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1100054
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 124832637
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide
CID 3139074
2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide
CID 29431173
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-phenoxyethyl)acetamide
CID 5234428
N-cyclohexyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172207
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide
CID 1141877
2-[N-(benzenesulfonyl)anilino]-N-cyclohexylacetamide
CID 555477

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide (CID 1100043) is 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide is COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide?
The InChIKey is JLRNHEQLOWBMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-28-18-13-14-20(21(15-18)29-2)24(30(26,27)19-11-7-4-8-12-19)16-22(25)23-17-9-5-3-6-10-17/h4,7-8,11-15,17H,3,5-6,9-10,16H2,1-2H3,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide?
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide has a molecular weight of 432.54 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide is sourced from PubChem (CID 1100043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).