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

C18H16FN3O3S2 — CID 25405775

IUPACN-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc(C)c(F)c3)cs2)cc1
InChIInChI=1S/C18H16FN3O3S2/c1-11-3-7-14(8-4-11)27(24,25)22-18-21-16(10-26-18)17(23)20-13-6-5-12(2)15(19)9-13/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeySYIFRYQZILAQGK-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.95
Rot. Bonds5

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

N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (PubChem CID 25405775) has the molecular formula C18H16FN3O3S2 and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
PubChem CID25405775
Molecular FormulaC18H16FN3O3S2
Molecular Weight405.48 g/mol
Exact Mass405.06
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc(C)c(F)c3)cs2)cc1
InChIInChI=1S/C18H16FN3O3S2/c1-11-3-7-14(8-4-11)27(24,25)22-18-21-16(10-26-18)17(23)20-13-6-5-12(2)15(19)9-13/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeySYIFRYQZILAQGK-UHFFFAOYSA-N
XLogP3.95
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405759
N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405569
N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405718
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 90506222
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
N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948370
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-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124593
N-(2,5-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970874

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (CID 25405775) is N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc(C)c(F)c3)cs2)cc1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is SYIFRYQZILAQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S2/c1-11-3-7-14(8-4-11)27(24,25)22-18-21-16(10-26-18)17(23)20-13-6-5-12(2)15(19)9-13/h3-10H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).