N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide

C19H19N3O3S2 — CID 25405759

IUPACN-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc(C)c(C)c3)cs2)cc1
InChIInChI=1S/C19H19N3O3S2/c1-12-4-8-16(9-5-12)27(24,25)22-19-21-17(11-26-19)18(23)20-15-7-6-13(2)14(3)10-15/h4-11H,1-3H3,(H,20,23)(H,21,22)
InChIKeyAJXAEACMUFJLQB-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.12
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide

N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (PubChem CID 25405759) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
PubChem CID25405759
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC NameN-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc(C)c(C)c3)cs2)cc1
InChIInChI=1S/C19H19N3O3S2/c1-12-4-8-16(9-5-12)27(24,25)22-19-21-17(11-26-19)18(23)20-15-7-6-13(2)14(3)10-15/h4-11H,1-3H3,(H,20,23)(H,21,22)
InChIKeyAJXAEACMUFJLQB-UHFFFAOYSA-N
XLogP4.12
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405569
N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405775
N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405718
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109107
N-(2-methoxy-5-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405780
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109109
2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772054
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 25405382
2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 25405391
N-(2,5-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970874
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 7510361
N-(2-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109102

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (CID 25405759) is N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc(C)c(C)c3)cs2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is AJXAEACMUFJLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-12-4-8-16(9-5-12)27(24,25)22-19-21-17(11-26-19)18(23)20-15-7-6-13(2)14(3)10-15/h4-11H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).