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

C14H14FN3O2S — CID 138490343

IUPAC5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide
SMILESCc1cc(NC(=O)c2sc(N)c(C(N)=O)c2C)ccc1F
InChIInChI=1S/C14H14FN3O2S/c1-6-5-8(3-4-9(6)15)18-14(20)11-7(2)10(12(16)19)13(17)21-11/h3-5H,17H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyDEVSGYYAIXXPFF-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.44
Rot. Bonds3

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

5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide (PubChem CID 138490343) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide
PubChem CID138490343
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide
SMILESCc1cc(NC(=O)c2sc(N)c(C(N)=O)c2C)ccc1F
InChIInChI=1S/C14H14FN3O2S/c1-6-5-8(3-4-9(6)15)18-14(20)11-7(2)10(12(16)19)13(17)21-11/h3-5H,17H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyDEVSGYYAIXXPFF-UHFFFAOYSA-N
XLogP2.44
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(3-Aminophenyl)ethynyl]-2-(carbamoylamino)thiophene-3-carboxamide
CID 25137998
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
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
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-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide (CID 138490343) is 5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide is Cc1cc(NC(=O)c2sc(N)c(C(N)=O)c2C)ccc1F.
What is the InChIKey of 5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide?
The InChIKey is DEVSGYYAIXXPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c1-6-5-8(3-4-9(6)15)18-14(20)11-7(2)10(12(16)19)13(17)21-11/h3-5H,17H2,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of 5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide?
5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.44, 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-methylphenyl)-3-methylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 138490343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).