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

C21H23N3O4S2 — CID 100798617

IUPAC2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1
InChIInChI=1S/C21H23N3O4S2/c1-4-28-18-8-10-19(11-9-18)30(26,27)24(3)13-21(25)23-17-7-5-6-16(12-17)20-14-29-15(2)22-20/h5-12,14H,4,13H2,1-3H3,(H,23,25)
InChIKeyQKCSRMGTYRGBTR-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.78
Rot. Bonds8

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

2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 100798617) has the molecular formula C21H23N3O4S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID100798617
Molecular FormulaC21H23N3O4S2
Molecular Weight445.57 g/mol
Exact Mass445.11
IUPAC Name2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1
InChIInChI=1S/C21H23N3O4S2/c1-4-28-18-8-10-19(11-9-18)30(26,27)24(3)13-21(25)23-17-7-5-6-16(12-17)20-14-29-15(2)22-20/h5-12,14H,4,13H2,1-3H3,(H,23,25)
InChIKeyQKCSRMGTYRGBTR-UHFFFAOYSA-N
XLogP3.78
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]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

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24648914
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100799018
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26429633
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100797241
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100797401
3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 24648924
ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373125
dimethyl 5-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 45373145
2-[butyl(ethyl)amino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 34603207
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 100798617) is 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is QKCSRMGTYRGBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S2/c1-4-28-18-8-10-19(11-9-18)30(26,27)24(3)13-21(25)23-17-7-5-6-16(12-17)20-14-29-15(2)22-20/h5-12,14H,4,13H2,1-3H3,(H,23,25).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 445.57 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 100798617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).