ethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxylate

C15H16N2O3S — CID 2359669

IUPACethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Nc2ccccc2)cc1C
InChIInChI=1S/C15H16N2O3S/c1-3-20-14(18)13-10(2)9-12(21-13)17-15(19)16-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H2,16,17,19)
InChIKeyLIOCFOVPVPJWBE-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.88
Rot. Bonds4

About ethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxylate

ethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxylate (PubChem CID 2359669) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is ethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxylate
PubChem CID2359669
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Nameethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Nc2ccccc2)cc1C
InChIInChI=1S/C15H16N2O3S/c1-3-20-14(18)13-10(2)9-12(21-13)17-15(19)16-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H2,16,17,19)
InChIKeyLIOCFOVPVPJWBE-UHFFFAOYSA-N
XLogP3.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-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

Ethyl 2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 698230
6-methyl-2-[[(4-methylanilino)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
CID 2810963
4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester
CID 809896
methyl 2-(acetylamino)-4-methyl-5-(N-phenylcarbamoyl)thiophene-3-carboxylate
CID 846267
Methyl 3-{[(4-methylphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 24818738
Methyl 3-{[(3,5-dimethylphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 24819112
Methyl 3-[(anilinocarbonothioyl)amino]thiophene-2-carboxylate
CID 6621269
Ethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate
CID 800941
Ethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate
CID 2354963
Ethyl 2-[(3-chlorophenyl)carbamoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 5258457
5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carboxylic acid propyl ester
CID 10156282
Methyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 1023160

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxylate (CID 2359669) is ethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)Nc2ccccc2)cc1C.
What is the InChIKey of ethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxylate?
The InChIKey is LIOCFOVPVPJWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-3-20-14(18)13-10(2)9-12(21-13)17-15(19)16-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H2,16,17,19).
What are the key properties of ethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxylate?
ethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxylate is sourced from PubChem (CID 2359669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).