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

C13H11F2N3O2S — CID 138490356

IUPAC5-amino-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(F)c2)sc(N)c1C(N)=O
InChIInChI=1S/C13H11F2N3O2S/c1-5-9(11(16)19)12(17)21-10(5)13(20)18-6-2-3-7(14)8(15)4-6/h2-4H,17H2,1H3,(H2,16,19)(H,18,20)
InChIKeyKXZNXFYANNQAQJ-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.27
Rot. Bonds3

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

5-amino-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide (PubChem CID 138490356) has the molecular formula C13H11F2N3O2S and a molecular weight of 311.31 g/mol. Its IUPAC name is 5-amino-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide
PubChem CID138490356
Molecular FormulaC13H11F2N3O2S
Molecular Weight311.31 g/mol
Exact Mass311.05
IUPAC Name5-amino-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(F)c2)sc(N)c1C(N)=O
InChIInChI=1S/C13H11F2N3O2S/c1-5-9(11(16)19)12(17)21-10(5)13(20)18-6-2-3-7(14)8(15)4-6/h2-4H,17H2,1H3,(H2,16,19)(H,18,20)
InChIKeyKXZNXFYANNQAQJ-UHFFFAOYSA-N
XLogP2.27
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.27
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-(2,2,2-trifluoroacetamido)phenyl]ethynyl}thiophene-3-carboxamide
CID 25138004
2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 675164
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-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide (CID 138490356) is 5-amino-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide is Cc1c(C(=O)Nc2ccc(F)c(F)c2)sc(N)c1C(N)=O.
What is the InChIKey of 5-amino-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide?
The InChIKey is KXZNXFYANNQAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2S/c1-5-9(11(16)19)12(17)21-10(5)13(20)18-6-2-3-7(14)8(15)4-6/h2-4H,17H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of 5-amino-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide?
5-amino-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide has a molecular weight of 311.31 g/mol, XLogP of 2.27, 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-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 138490356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).