5-amino-3-methyl-2-N-[4-(trifluoromethyl)phenyl]thiophene-2,4-dicarboxamide

C14H12F3N3O2S — CID 138490364

IUPAC5-amino-3-methyl-2-N-[4-(trifluoromethyl)phenyl]thiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc(N)c1C(N)=O
InChIInChI=1S/C14H12F3N3O2S/c1-6-9(11(18)21)12(19)23-10(6)13(22)20-8-4-2-7(3-5-8)14(15,16)17/h2-5H,19H2,1H3,(H2,18,21)(H,20,22)
InChIKeyPWVAEMNZEFZNML-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.01
Rot. Bonds3

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

5-amino-3-methyl-2-N-[4-(trifluoromethyl)phenyl]thiophene-2,4-dicarboxamide (PubChem CID 138490364) has the molecular formula C14H12F3N3O2S and a molecular weight of 343.33 g/mol. Its IUPAC name is 5-amino-3-methyl-2-N-[4-(trifluoromethyl)phenyl]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-3-methyl-2-N-[4-(trifluoromethyl)phenyl]thiophene-2,4-dicarboxamide
PubChem CID138490364
Molecular FormulaC14H12F3N3O2S
Molecular Weight343.33 g/mol
Exact Mass343.06
IUPAC Name5-amino-3-methyl-2-N-[4-(trifluoromethyl)phenyl]thiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc(N)c1C(N)=O
InChIInChI=1S/C14H12F3N3O2S/c1-6-9(11(18)21)12(19)23-10(6)13(22)20-8-4-2-7(3-5-8)14(15,16)17/h2-5H,19H2,1H3,(H2,18,21)(H,20,22)
InChIKeyPWVAEMNZEFZNML-UHFFFAOYSA-N
XLogP3.01
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.01
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

N-(4-methylphenyl)thiophene-2-carboxamide
CID 2292972
2-((2-Bromo-2,2-difluoroacetyl)amino)-5,6,7,8-tetrahydro-N-(2-methylphenyl)-4H-cyclohepta(b)thiophene-3-carboxamide
CID 129897070
2-(Carbamoylamino)-5-{2-[3-(2,2,2-trifluoroacetamido)phenyl]ethynyl}thiophene-3-carboxamide
CID 25138004
4-[(Thiophen-2-ylacetyl)amino]benzamide
CID 670145
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-chloro-2,2-difluoroacetyl)amino]-N-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 135363059

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-2-N-[4-(trifluoromethyl)phenyl]thiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-3-methyl-2-N-[4-(trifluoromethyl)phenyl]thiophene-2,4-dicarboxamide (CID 138490364) is 5-amino-3-methyl-2-N-[4-(trifluoromethyl)phenyl]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-3-methyl-2-N-[4-(trifluoromethyl)phenyl]thiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-3-methyl-2-N-[4-(trifluoromethyl)phenyl]thiophene-2,4-dicarboxamide is Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc(N)c1C(N)=O.
What is the InChIKey of 5-amino-3-methyl-2-N-[4-(trifluoromethyl)phenyl]thiophene-2,4-dicarboxamide?
The InChIKey is PWVAEMNZEFZNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2S/c1-6-9(11(18)21)12(19)23-10(6)13(22)20-8-4-2-7(3-5-8)14(15,16)17/h2-5H,19H2,1H3,(H2,18,21)(H,20,22).
What are the key properties of 5-amino-3-methyl-2-N-[4-(trifluoromethyl)phenyl]thiophene-2,4-dicarboxamide?
5-amino-3-methyl-2-N-[4-(trifluoromethyl)phenyl]thiophene-2,4-dicarboxamide has a molecular weight of 343.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-2-N-[4-(trifluoromethyl)phenyl]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 138490364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).