methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate

C15H13F3N2O3S — CID 1129095

IUPACmethyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
SMILESCOC(=O)c1c(N)sc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C15H13F3N2O3S/c1-7-10(14(22)23-2)12(19)24-11(7)13(21)20-9-5-3-4-8(6-9)15(16,17)18/h3-6H,19H2,1-2H3,(H,20,21)
InChIKeyGBJJEJSCRKJPPW-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.70
Rot. Bonds3

About methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate

methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate (PubChem CID 1129095) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
PubChem CID1129095
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC Namemethyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
SMILESCOC(=O)c1c(N)sc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C15H13F3N2O3S/c1-7-10(14(22)23-2)12(19)24-11(7)13(21)20-9-5-3-4-8(6-9)15(16,17)18/h3-6H,19H2,1-2H3,(H,20,21)
InChIKeyGBJJEJSCRKJPPW-UHFFFAOYSA-N
XLogP3.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate 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-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 4764229
methyl 2-[(4-chlorobenzoyl)amino]-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
CID 3135261
methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate
CID 167489018
ethyl 2-[(4-fluorobenzoyl)amino]-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
CID 2254211
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride
CID 21152450
5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide
CID 138490331
5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 69054016
2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170317070
methyl 2-amino-5-[(2,4-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 694717

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate (CID 1129095) is methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate is COC(=O)c1c(N)sc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate?
The InChIKey is GBJJEJSCRKJPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-7-10(14(22)23-2)12(19)24-11(7)13(21)20-9-5-3-4-8(6-9)15(16,17)18/h3-6H,19H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate?
methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate has a molecular weight of 358.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate is sourced from PubChem (CID 1129095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).