2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide

C15H24N2O4S — CID 4052422

IUPAC2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide
SMILESCCS(=O)(=O)N(CC(=O)NCC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C15H24N2O4S/c1-5-22(19,20)17(11-15(18)16-10-12(2)3)13-6-8-14(21-4)9-7-13/h6-9,12H,5,10-11H2,1-4H3,(H,16,18)
InChIKeyBVTCMTWYZPQVFK-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.62
Rot. Bonds8

About 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide

2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide (PubChem CID 4052422) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide
PubChem CID4052422
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide
SMILESCCS(=O)(=O)N(CC(=O)NCC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C15H24N2O4S/c1-5-22(19,20)17(11-15(18)16-10-12(2)3)13-6-8-14(21-4)9-7-13/h6-9,12H,5,10-11H2,1-4H3,(H,16,18)
InChIKeyBVTCMTWYZPQVFK-UHFFFAOYSA-N
XLogP1.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 2249335
2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39358683
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(2-methylpropyl)acetamide
CID 53280494
N-(3,4-dimethylphenyl)-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide
CID 4136271
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51345316
N-butan-2-yl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43891595
N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide
CID 113156834
2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1318473
2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 126346344
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide
CID 126415763
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide
CID 32510686
2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide
CID 4600961

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide (CID 4052422) is 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide is CCS(=O)(=O)N(CC(=O)NCC(C)C)c1ccc(OC)cc1.
What is the InChIKey of 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is BVTCMTWYZPQVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-5-22(19,20)17(11-15(18)16-10-12(2)3)13-6-8-14(21-4)9-7-13/h6-9,12H,5,10-11H2,1-4H3,(H,16,18).
What are the key properties of 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide?
2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 328.43 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 4052422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).