ethyl 4-carbamoyl-5-[(4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylate

C16H15ClN2O4S — CID 1008591

IUPACethyl 4-carbamoyl-5-[(4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)c(C(N)=O)c1C
InChIInChI=1S/C16H15ClN2O4S/c1-3-23-16(22)12-8(2)11(13(18)20)15(24-12)19-14(21)9-4-6-10(17)7-5-9/h4-7H,3H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyDDQXYUZZYHNLCW-UHFFFAOYSA-N
MW366.83 g/mol
LogP3.24
Rot. Bonds5

About ethyl 4-carbamoyl-5-[(4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylate

ethyl 4-carbamoyl-5-[(4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylate (PubChem CID 1008591) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is ethyl 4-carbamoyl-5-[(4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-5-[(4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylate
PubChem CID1008591
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Nameethyl 4-carbamoyl-5-[(4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)c(C(N)=O)c1C
InChIInChI=1S/C16H15ClN2O4S/c1-3-23-16(22)12-8(2)11(13(18)20)15(24-12)19-14(21)9-4-6-10(17)7-5-9/h4-7H,3H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyDDQXYUZZYHNLCW-UHFFFAOYSA-N
XLogP3.24
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-carbamoyl-5-[(4-chlorobenzoyl)amino]-3-methylthiophene-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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-5-[(4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-5-[(4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylate (CID 1008591) is ethyl 4-carbamoyl-5-[(4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-5-[(4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-5-[(4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)c(C(N)=O)c1C.
What is the InChIKey of ethyl 4-carbamoyl-5-[(4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylate?
The InChIKey is DDQXYUZZYHNLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-3-23-16(22)12-8(2)11(13(18)20)15(24-12)19-14(21)9-4-6-10(17)7-5-9/h4-7H,3H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of ethyl 4-carbamoyl-5-[(4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylate?
ethyl 4-carbamoyl-5-[(4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylate has a molecular weight of 366.83 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-5-[(4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 1008591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).