3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide

C21H22N4O4S2 — CID 24648924

IUPAC3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
SMILESCc1nc(-c2cccc(NC(=O)CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2)cs1
InChIInChI=1S/C21H22N4O4S2/c1-14-23-19(13-30-14)15-6-4-8-17(10-15)24-20(26)12-22-21(27)16-7-5-9-18(11-16)31(28,29)25(2)3/h4-11,13H,12H2,1-3H3,(H,22,27)(H,24,26)
InChIKeyPYMMMASSKZWWPA-UHFFFAOYSA-N
MW458.57 g/mol
LogP2.74
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide

3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide (PubChem CID 24648924) has the molecular formula C21H22N4O4S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
PubChem CID24648924
Molecular FormulaC21H22N4O4S2
Molecular Weight458.57 g/mol
Exact Mass458.11
IUPAC Name3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
SMILESCc1nc(-c2cccc(NC(=O)CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2)cs1
InChIInChI=1S/C21H22N4O4S2/c1-14-23-19(13-30-14)15-6-4-8-17(10-15)24-20(26)12-22-21(27)16-7-5-9-18(11-16)31(28,29)25(2)3/h4-11,13H,12H2,1-3H3,(H,22,27)(H,24,26)
InChIKeyPYMMMASSKZWWPA-UHFFFAOYSA-N
XLogP2.74
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide
CID 8623572
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24648914
N-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane
CID 158667083
3-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859281
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-propan-2-ylsulfonylbenzamide
CID 166172356
3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 8534346
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100798617
4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide
CID 30858687
3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide
CID 35508229

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide (CID 24648924) is 3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide is Cc1nc(-c2cccc(NC(=O)CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2)cs1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide?
The InChIKey is PYMMMASSKZWWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S2/c1-14-23-19(13-30-14)15-6-4-8-17(10-15)24-20(26)12-22-21(27)16-7-5-9-18(11-16)31(28,29)25(2)3/h4-11,13H,12H2,1-3H3,(H,22,27)(H,24,26).
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide?
3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide has a molecular weight of 458.57 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24648924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).