2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide

C18H28N2O4S — CID 55584143

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C)C(C)CC(C)C)cc1
InChIInChI=1S/C18H28N2O4S/c1-13(2)11-14(3)20(6)18(22)12-19(5)25(23,24)17-9-7-16(8-10-17)15(4)21/h7-10,13-14H,11-12H2,1-6H3
InChIKeyGGJRFJCQJSIHKO-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.40
Rot. Bonds8

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide (PubChem CID 55584143) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide
PubChem CID55584143
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C)C(C)CC(C)C)cc1
InChIInChI=1S/C18H28N2O4S/c1-13(2)11-14(3)20(6)18(22)12-19(5)25(23,24)17-9-7-16(8-10-17)15(4)21/h7-10,13-14H,11-12H2,1-6H3
InChIKeyGGJRFJCQJSIHKO-UHFFFAOYSA-N
XLogP2.40
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 60731070
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 3685152
4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26034569
(4-methoxyphenyl) 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 24650561
4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
CID 43215458
4-acetyl-N-(2,2-dimethoxyethyl)-N-methylbenzenesulfonamide
CID 3724820
4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide
CID 43274837
4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103189656
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide
CID 55551169
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 51936085

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide (CID 55584143) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C)C(C)CC(C)C)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide?
The InChIKey is GGJRFJCQJSIHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-13(2)11-14(3)20(6)18(22)12-19(5)25(23,24)17-9-7-16(8-10-17)15(4)21/h7-10,13-14H,11-12H2,1-6H3.
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide has a molecular weight of 368.50 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide is sourced from PubChem (CID 55584143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).