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

C15H14ClNO3S — CID 2807643

IUPACethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C)csc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO3S/c1-3-20-15(19)12-9(2)8-21-14(12)17-13(18)10-6-4-5-7-11(10)16/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyYJYGIRFJHIMFHK-UHFFFAOYSA-N
MW323.80 g/mol
LogP4.14
Rot. Bonds4

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

ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate (PubChem CID 2807643) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
PubChem CID2807643
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Nameethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C)csc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO3S/c1-3-20-15(19)12-9(2)8-21-14(12)17-13(18)10-6-4-5-7-11(10)16/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyYJYGIRFJHIMFHK-UHFFFAOYSA-N
XLogP4.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-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

ethyl 2-[(2,2-dichloroacetyl)amino]-4-methylthiophene-3-carboxylate
CID 2777458
ethyl 2-[(2-chloroacetyl)amino]-4-methylthiophene-3-carboxylate
CID 2777457
ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate
CID 59636673
ethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate
CID 2354399
ethyl 4-methyl-2-(1,1,1-trifluoropropan-2-ylcarbamoylamino)thiophene-3-carboxylate
CID 122574769
ethyl 2-[(2-fluorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 759977
ethyl 5-(benzylcarbamoyl)-2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 17064615
ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate
CID 122574677
ethyl 4-(2,4-dimethylphenyl)-2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 19210864
ethyl 5-[(2-chlorobenzoyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 3361738
ethyl 4-(2,4-dimethylphenyl)-2-(naphthalene-1-carbonylamino)thiophene-3-carboxylate
CID 19220319
ethyl 4-cyclopropyl-2-[(2-ethoxybenzoyl)amino]thiophene-3-carboxylate
CID 52897079

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate (CID 2807643) is ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(C)csc1NC(=O)c1ccccc1Cl.
What is the InChIKey of ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate?
The InChIKey is YJYGIRFJHIMFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-3-20-15(19)12-9(2)8-21-14(12)17-13(18)10-6-4-5-7-11(10)16/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate?
ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate has a molecular weight of 323.80 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 2807643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).