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

C14H12F3N3O2S — CID 138490372

IUPAC5-amino-2-N-[3-(difluoromethyl)-4-fluorophenyl]-3-methylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(C(F)F)c2)sc(N)c1C(N)=O
InChIInChI=1S/C14H12F3N3O2S/c1-5-9(12(18)21)13(19)23-10(5)14(22)20-6-2-3-8(15)7(4-6)11(16)17/h2-4,11H,19H2,1H3,(H2,18,21)(H,20,22)
InChIKeyJABQJXWPZPFAGB-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.07
Rot. Bonds4

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

5-amino-2-N-[3-(difluoromethyl)-4-fluorophenyl]-3-methylthiophene-2,4-dicarboxamide (PubChem CID 138490372) has the molecular formula C14H12F3N3O2S and a molecular weight of 343.33 g/mol. Its IUPAC name is 5-amino-2-N-[3-(difluoromethyl)-4-fluorophenyl]-3-methylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-2-N-[3-(difluoromethyl)-4-fluorophenyl]-3-methylthiophene-2,4-dicarboxamide
PubChem CID138490372
Molecular FormulaC14H12F3N3O2S
Molecular Weight343.33 g/mol
Exact Mass343.06
IUPAC Name5-amino-2-N-[3-(difluoromethyl)-4-fluorophenyl]-3-methylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(C(F)F)c2)sc(N)c1C(N)=O
InChIInChI=1S/C14H12F3N3O2S/c1-5-9(12(18)21)13(19)23-10(5)14(22)20-6-2-3-8(15)7(4-6)11(16)17/h2-4,11H,19H2,1H3,(H2,18,21)(H,20,22)
InChIKeyJABQJXWPZPFAGB-UHFFFAOYSA-N
XLogP3.07
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.07
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-((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-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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-N-[3-(difluoromethyl)-4-fluorophenyl]-3-methylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-2-N-[3-(difluoromethyl)-4-fluorophenyl]-3-methylthiophene-2,4-dicarboxamide (CID 138490372) is 5-amino-2-N-[3-(difluoromethyl)-4-fluorophenyl]-3-methylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-2-N-[3-(difluoromethyl)-4-fluorophenyl]-3-methylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-2-N-[3-(difluoromethyl)-4-fluorophenyl]-3-methylthiophene-2,4-dicarboxamide is Cc1c(C(=O)Nc2ccc(F)c(C(F)F)c2)sc(N)c1C(N)=O.
What is the InChIKey of 5-amino-2-N-[3-(difluoromethyl)-4-fluorophenyl]-3-methylthiophene-2,4-dicarboxamide?
The InChIKey is JABQJXWPZPFAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2S/c1-5-9(12(18)21)13(19)23-10(5)14(22)20-6-2-3-8(15)7(4-6)11(16)17/h2-4,11H,19H2,1H3,(H2,18,21)(H,20,22).
What are the key properties of 5-amino-2-N-[3-(difluoromethyl)-4-fluorophenyl]-3-methylthiophene-2,4-dicarboxamide?
5-amino-2-N-[3-(difluoromethyl)-4-fluorophenyl]-3-methylthiophene-2,4-dicarboxamide has a molecular weight of 343.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-N-[3-(difluoromethyl)-4-fluorophenyl]-3-methylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 138490372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).