2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide

C22H28N2O4S — CID 1203936

IUPAC2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide
SMILESCOc1ccc(C)cc1N(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H28N2O4S/c1-17-13-14-21(28-2)20(15-17)24(29(26,27)19-11-7-4-8-12-19)16-22(25)23-18-9-5-3-6-10-18/h4,7-8,11-15,18H,3,5-6,9-10,16H2,1-2H3,(H,23,25)
InChIKeyNBRIVCLMFKQKRF-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.65
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide

2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide (PubChem CID 1203936) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide
PubChem CID1203936
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide
SMILESCOc1ccc(C)cc1N(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H28N2O4S/c1-17-13-14-21(28-2)20(15-17)24(29(26,27)19-11-7-4-8-12-19)16-22(25)23-18-9-5-3-6-10-18/h4,7-8,11-15,18H,3,5-6,9-10,16H2,1-2H3,(H,23,25)
InChIKeyNBRIVCLMFKQKRF-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172207
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide
CID 3139224
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide
CID 1100043
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide)
CID 161059853
N-cyclohexyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280380
(2R)-2-[[2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetyl]-[(3-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 125053904
2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide
CID 29431173
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide
CID 51345206
2-[benzyl-[2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 132633963
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-methylphenyl)acetamide
CID 30169948
(2R)-2-[[2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 125078555
N-cyclohexyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998717

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide (CID 1203936) is 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide is COc1ccc(C)cc1N(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide?
The InChIKey is NBRIVCLMFKQKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17-13-14-21(28-2)20(15-17)24(29(26,27)19-11-7-4-8-12-19)16-22(25)23-18-9-5-3-6-10-18/h4,7-8,11-15,18H,3,5-6,9-10,16H2,1-2H3,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide?
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide has a molecular weight of 416.54 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide is sourced from PubChem (CID 1203936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).