2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide

C19H24N2O4S — CID 2249335

IUPAC2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-15(2)13-20-19(22)14-21(16-9-11-17(25-3)12-10-16)26(23,24)18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyZOTCNZJUYBSUSX-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.66
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide (PubChem CID 2249335) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide
PubChem CID2249335
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-15(2)13-20-19(22)14-21(16-9-11-17(25-3)12-10-16)26(23,24)18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyZOTCNZJUYBSUSX-UHFFFAOYSA-N
XLogP2.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide
CID 4052422
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43901953
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 3139097
2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51142121
2-[[2-(N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126145348
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30303633
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3371561
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304312
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126138621
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51345316
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133210038
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2865069

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide (CID 2249335) is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide is COc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide?
The InChIKey is ZOTCNZJUYBSUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15(2)13-20-19(22)14-21(16-9-11-17(25-3)12-10-16)26(23,24)18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,20,22).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide?
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.66, 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-methoxyanilino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 2249335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).