5-amino-2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2,4-dicarboxamide

C14H11F4N3O2S — CID 138490370

IUPAC5-amino-2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)sc(N)c1C(N)=O
InChIInChI=1S/C14H11F4N3O2S/c1-5-9(11(19)22)12(20)24-10(5)13(23)21-6-2-3-8(15)7(4-6)14(16,17)18/h2-4H,20H2,1H3,(H2,19,22)(H,21,23)
InChIKeyFGWGGXFGLDNLQE-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.15
Rot. Bonds3

About 5-amino-2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2,4-dicarboxamide

5-amino-2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2,4-dicarboxamide (PubChem CID 138490370) has the molecular formula C14H11F4N3O2S and a molecular weight of 361.32 g/mol. Its IUPAC name is 5-amino-2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2,4-dicarboxamide
PubChem CID138490370
Molecular FormulaC14H11F4N3O2S
Molecular Weight361.32 g/mol
Exact Mass361.05
IUPAC Name5-amino-2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)sc(N)c1C(N)=O
InChIInChI=1S/C14H11F4N3O2S/c1-5-9(11(19)22)12(20)24-10(5)13(23)21-6-2-3-8(15)7(4-6)14(16,17)18/h2-4H,20H2,1H3,(H2,19,22)(H,21,23)
InChIKeyFGWGGXFGLDNLQE-UHFFFAOYSA-N
XLogP3.15
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.15
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-(Carbamoylamino)-5-[2-(3-acetamidophenyl)ethynyl]thiophene-3-carboxamide
CID 25138003
2-(Carbamoylamino)-5-{2-[3-(2,2,2-trifluoroacetamido)phenyl]ethynyl}thiophene-3-carboxamide
CID 25138004
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
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
2-[(2,2-difluoro-2-iodoacetyl)amino]-N-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 135363371
2-[(2-chloro-2,2-difluoroacetyl)amino]-N-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 137633189
2-[(2-bromo-2,2-difluoroacetyl)amino]-N-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 137642052

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2,4-dicarboxamide (CID 138490370) is 5-amino-2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2,4-dicarboxamide is Cc1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)sc(N)c1C(N)=O.
What is the InChIKey of 5-amino-2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2,4-dicarboxamide?
The InChIKey is FGWGGXFGLDNLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N3O2S/c1-5-9(11(19)22)12(20)24-10(5)13(23)21-6-2-3-8(15)7(4-6)14(16,17)18/h2-4H,20H2,1H3,(H2,19,22)(H,21,23).
What are the key properties of 5-amino-2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2,4-dicarboxamide?
5-amino-2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2,4-dicarboxamide has a molecular weight of 361.32 g/mol, XLogP of 3.15, 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-fluoro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 138490370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).