ethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate

C15H15ClN2O3S — CID 800941

IUPACethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H15ClN2O3S/c1-3-21-14(19)13-9(2)8-12(22-13)18-15(20)17-11-6-4-10(16)5-7-11/h4-8H,3H2,1-2H3,(H2,17,18,20)
InChIKeyRGUGPYBGFLDYNY-UHFFFAOYSA-N
MW338.82 g/mol
LogP4.53
Rot. Bonds4

About ethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate

ethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate (PubChem CID 800941) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is ethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate
PubChem CID800941
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Nameethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H15ClN2O3S/c1-3-21-14(19)13-9(2)8-12(22-13)18-15(20)17-11-6-4-10(16)5-7-11/h4-8H,3H2,1-2H3,(H2,17,18,20)
InChIKeyRGUGPYBGFLDYNY-UHFFFAOYSA-N
XLogP4.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 5-[(4-chlorophenyl)carbamoylamino]-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 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate (CID 800941) is ethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)cc1C.
What is the InChIKey of ethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate?
The InChIKey is RGUGPYBGFLDYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-3-21-14(19)13-9(2)8-12(22-13)18-15(20)17-11-6-4-10(16)5-7-11/h4-8H,3H2,1-2H3,(H2,17,18,20).
What are the key properties of ethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate?
ethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate has a molecular weight of 338.82 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 800941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).