2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide

C16H19N3O4S2 — CID 55534295

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(C)cs2)cc1
InChIInChI=1S/C16H19N3O4S2/c1-11-10-24-16(18-11)8-17-15(21)9-19(3)25(22,23)14-6-4-13(5-7-14)12(2)20/h4-7,10H,8-9H2,1-3H3,(H,17,21)
InChIKeyPTEASMIFTIMYJD-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.59
Rot. Bonds7

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 55534295) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID55534295
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(C)cs2)cc1
InChIInChI=1S/C16H19N3O4S2/c1-11-10-24-16(18-11)8-17-15(21)9-19(3)25(22,23)14-6-4-13(5-7-14)12(2)20/h4-7,10H,8-9H2,1-3H3,(H,17,21)
InChIKeyPTEASMIFTIMYJD-UHFFFAOYSA-N
XLogP1.59
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 51315975
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide
CID 47048130
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7959047
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 43052185
4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 47051600
methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 3685152
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide
CID 7919004
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide
CID 55533400
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
2-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244739
ethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 60731070
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (CID 55534295) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(C)cs2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is PTEASMIFTIMYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-11-10-24-16(18-11)8-17-15(21)9-19(3)25(22,23)14-6-4-13(5-7-14)12(2)20/h4-7,10H,8-9H2,1-3H3,(H,17,21).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 55534295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).