2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C20H21N3O3S2 — CID 24648914

IUPAC2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1
InChIInChI=1S/C20H21N3O3S2/c1-14-7-9-18(10-8-14)28(25,26)23(3)12-20(24)22-17-6-4-5-16(11-17)19-13-27-15(2)21-19/h4-11,13H,12H2,1-3H3,(H,22,24)
InChIKeyVBAKUTLLELQVSS-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.69
Rot. Bonds6

About 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 24648914) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID24648914
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1
InChIInChI=1S/C20H21N3O3S2/c1-14-7-9-18(10-8-14)28(25,26)23(3)12-20(24)22-17-6-4-5-16(11-17)19-13-27-15(2)21-19/h4-11,13H,12H2,1-3H3,(H,22,24)
InChIKeyVBAKUTLLELQVSS-UHFFFAOYSA-N
XLogP3.69
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100798617
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100797241
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
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100797401
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 24648924
2-[butyl(ethyl)amino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 34603207
2-[cyclopropyl-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]amino]propanoic acid
CID 122100507

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 24648914) is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1.
What is the InChIKey of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is VBAKUTLLELQVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-14-7-9-18(10-8-14)28(25,26)23(3)12-20(24)22-17-6-4-5-16(11-17)19-13-27-15(2)21-19/h4-11,13H,12H2,1-3H3,(H,22,24).
What are the key properties of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 415.54 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 24648914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).