ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate

C15H16N2O3S — CID 61117526

IUPACethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc(N)c(C)s2)c1
InChIInChI=1S/C15H16N2O3S/c1-3-20-15(19)10-5-4-6-11(7-10)17-14(18)13-8-12(16)9(2)21-13/h4-8H,3,16H2,1-2H3,(H,17,18)
InChIKeyXVUTYLZUECWGRR-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.07
Rot. Bonds4

About ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate

ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate (PubChem CID 61117526) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate
PubChem CID61117526
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Nameethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc(N)c(C)s2)c1
InChIInChI=1S/C15H16N2O3S/c1-3-20-15(19)10-5-4-6-11(7-10)17-14(18)13-8-12(16)9(2)21-13/h4-8H,3,16H2,1-2H3,(H,17,18)
InChIKeyXVUTYLZUECWGRR-UHFFFAOYSA-N
XLogP3.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate 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

4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide
CID 61118215
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
ethyl 3-[(5-iodothiophene-3-carbonyl)amino]benzoate
CID 78949117
N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 78779650
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
4-amino-5-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 61089790
ethyl 3-(furan-3-carbonylamino)benzoate
CID 34142354
ethyl 3-[(4-propan-2-ylbenzoyl)amino]benzoate
CID 1406449
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate (CID 61117526) is ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2cc(N)c(C)s2)c1.
What is the InChIKey of ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate?
The InChIKey is XVUTYLZUECWGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-3-20-15(19)10-5-4-6-11(7-10)17-14(18)13-8-12(16)9(2)21-13/h4-8H,3,16H2,1-2H3,(H,17,18).
What are the key properties of ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate?
ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate has a molecular weight of 304.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate is sourced from PubChem (CID 61117526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).