N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide

C19H19N3O3S2 — CID 78877447

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(-c3ccccc3)s2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H19N3O3S2/c1-13-9-10-15(11-17(13)27(24,25)22(2)3)21-18(23)16-12-20-19(26-16)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,21,23)
InChIKeyPZLOLWIHOHNWLG-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.62
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 78877447) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID78877447
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(-c3ccccc3)s2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H19N3O3S2/c1-13-9-10-15(11-17(13)27(24,25)22(2)3)21-18(23)16-12-20-19(26-16)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,21,23)
InChIKeyPZLOLWIHOHNWLG-UHFFFAOYSA-N
XLogP3.62
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
N-(2,5-dimethylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 46484824
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 5019286
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78865898
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 78884142
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide
CID 112733206
N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24635520
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
CID 119263742
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 5197386
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide
CID 8833006
(2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 7812070
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
CID 3635933

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 78877447) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2cnc(-c3ccccc3)s2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is PZLOLWIHOHNWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-13-9-10-15(11-17(13)27(24,25)22(2)3)21-18(23)16-12-20-19(26-16)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,21,23).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78877447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).