5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide

C13H12FN3O2S — CID 138490333

IUPAC5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)sc(N)c1C(N)=O
InChIInChI=1S/C13H12FN3O2S/c1-6-9(11(15)18)12(16)20-10(6)13(19)17-8-4-2-7(14)3-5-8/h2-5H,16H2,1H3,(H2,15,18)(H,17,19)
InChIKeyOZHXWMNWPYSZLL-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.13
Rot. Bonds3

About 5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide

5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide (PubChem CID 138490333) has the molecular formula C13H12FN3O2S and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide
PubChem CID138490333
Molecular FormulaC13H12FN3O2S
Molecular Weight293.32 g/mol
Exact Mass293.06
IUPAC Name5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)sc(N)c1C(N)=O
InChIInChI=1S/C13H12FN3O2S/c1-6-9(11(15)18)12(16)20-10(6)13(19)17-8-4-2-7(14)3-5-8/h2-5H,16H2,1H3,(H2,15,18)(H,17,19)
InChIKeyOZHXWMNWPYSZLL-UHFFFAOYSA-N
XLogP2.13
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 675164
4-Ethyl-5-methyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-3-thiophenecarboxamide
CID 2933190
N-phenyl-2-[(phenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3119669
2-(Acetylamino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxamide
CID 887901
N-phenyl-2-[(trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 1107220
N-(2-methylphenyl)-2-[(trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 1107221
N-(2-methylphenyl)-2-[(trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3825946
2-(2-fluoro-4-iodoanilino)-5,5-dimethyl-8-oxo-6,7-dihydro-4H-thieno[2,3-c]azepine-3-carboxamide
CID 57395008
N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126118288
N-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126120777
2-[(2,2-difluoro-2-iodoacetyl)amino]-N-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 135362963
2-[(Perfluorobutanoyl)amino]-N-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 135363040

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide (CID 138490333) is 5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide is Cc1c(C(=O)Nc2ccc(F)cc2)sc(N)c1C(N)=O.
What is the InChIKey of 5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide?
The InChIKey is OZHXWMNWPYSZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2S/c1-6-9(11(15)18)12(16)20-10(6)13(19)17-8-4-2-7(14)3-5-8/h2-5H,16H2,1H3,(H2,15,18)(H,17,19).
What are the key properties of 5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide?
5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide has a molecular weight of 293.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 138490333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).