N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide

C24H21FN4O2S — CID 55852955

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)n1
InChIInChI=1S/C24H21FN4O2S/c1-14-11-21(27-23(30)17-7-6-8-18(25)13-17)32-22(14)24(31)26-19-9-4-5-10-20(19)29-16(3)12-15(2)28-29/h4-13H,1-3H3,(H,26,31)(H,27,30)
InChIKeySVVVEUGPFIBJBC-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.50
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide (PubChem CID 55852955) has the molecular formula C24H21FN4O2S and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
PubChem CID55852955
Molecular FormulaC24H21FN4O2S
Molecular Weight448.52 g/mol
Exact Mass448.14
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)n1
InChIInChI=1S/C24H21FN4O2S/c1-14-11-21(27-23(30)17-7-6-8-18(25)13-17)32-22(14)24(31)26-19-9-4-5-10-20(19)29-16(3)12-15(2)28-29/h4-13H,1-3H3,(H,26,31)(H,27,30)
InChIKeySVVVEUGPFIBJBC-UHFFFAOYSA-N
XLogP5.50
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-fluorobenzoyl)amino]-N-(2-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide
CID 55868210
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55870514
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]thiophene-2-carboxamide
CID 55871880
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
CID 51958932
5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 60508290
N-(4-bromo-2,6-dimethylphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 112845668
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]thiophene-2-carboxamide
CID 55990916
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
CID 38760630
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 43074055
3-fluoro-N-[5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 112834301
1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide
CID 167870149
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 43073972

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide (CID 55852955) is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide is Cc1cc(C)n(-c2ccccc2NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The InChIKey is SVVVEUGPFIBJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2S/c1-14-11-21(27-23(30)17-7-6-8-18(25)13-17)32-22(14)24(31)26-19-9-4-5-10-20(19)29-16(3)12-15(2)28-29/h4-13H,1-3H3,(H,26,31)(H,27,30).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 55852955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).