N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide

C19H18FN3O3S2 — CID 30860051

IUPACN-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1F
InChIInChI=1S/C19H18FN3O3S2/c1-12-3-4-14(9-17(12)20)21-18(24)10-15-11-27-19(23-15)22-13-5-7-16(8-6-13)28(2,25)26/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKBYNUELBIFOPCU-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.92
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide

N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide (PubChem CID 30860051) has the molecular formula C19H18FN3O3S2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
PubChem CID30860051
Molecular FormulaC19H18FN3O3S2
Molecular Weight419.50 g/mol
Exact Mass419.08
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1F
InChIInChI=1S/C19H18FN3O3S2/c1-12-3-4-14(9-17(12)20)21-18(24)10-15-11-27-19(23-15)22-13-5-7-16(8-6-13)28(2,25)26/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKBYNUELBIFOPCU-UHFFFAOYSA-N
XLogP3.92
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378040
N-(3-chlorophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942363
N-(3,4-difluorophenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
CID 30941160
N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378023
N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942320
N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
CID 30941377
N,N,4-trimethyl-2-[[2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
CID 30942275
methyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039932
N-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378029
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942245
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 9455853
N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211904

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide (CID 30860051) is N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide is Cc1ccc(NC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is KBYNUELBIFOPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S2/c1-12-3-4-14(9-17(12)20)21-18(24)10-15-11-27-19(23-15)22-13-5-7-16(8-6-13)28(2,25)26/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 419.50 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 30860051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).