2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide

C16H24N2O4S — CID 39076479

IUPAC2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
SMILESCCCCN(C)C(=O)CS(=O)(=O)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H24N2O4S/c1-4-5-10-18(3)16(20)12-23(21,22)11-15(19)17-14-8-6-13(2)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyKPKQIJAJEYGTFJ-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.61
Rot. Bonds8

About 2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide

2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide (PubChem CID 39076479) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
PubChem CID39076479
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
SMILESCCCCN(C)C(=O)CS(=O)(=O)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H24N2O4S/c1-4-5-10-18(3)16(20)12-23(21,22)11-15(19)17-14-8-6-13(2)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyKPKQIJAJEYGTFJ-UHFFFAOYSA-N
XLogP1.61
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide
CID 39083686
2-[2-(4-methylanilino)-2-oxoethyl]sulfonylacetate
CID 6986822
3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid
CID 171154464
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide
CID 39083697
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide
CID 39083709
N-(4-methylphenyl)pentanamide
CID 3662375
2-(cyanomethylsulfonyl)-N-(4-methylphenyl)acetamide
CID 39159152
2-[acetyl(butyl)amino]-N-(4-methylphenyl)acetamide
CID 113158704
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8750734
2-[2-(diethylamino)-2-oxoethyl]sulfonyl-N-(4-fluorophenyl)acetamide
CID 39076319
N-(3-bromo-4-methylphenyl)-N'-butyl-N'-methylpropanediamide
CID 108952043
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364

Frequently Asked Questions

What is the IUPAC name of 2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide (CID 39076479) is 2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide is CCCCN(C)C(=O)CS(=O)(=O)CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide?
The InChIKey is KPKQIJAJEYGTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-4-5-10-18(3)16(20)12-23(21,22)11-15(19)17-14-8-6-13(2)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide?
2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide has a molecular weight of 340.44 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 39076479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).