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

C15H14ClNO3S — CID 900044

IUPACethyl 4-[(4-chlorobenzoyl)amino]-2-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)csc1C
InChIInChI=1S/C15H14ClNO3S/c1-3-20-15(19)13-9(2)21-8-12(13)17-14(18)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyDQZXTHZAQYESSN-UHFFFAOYSA-N
MW323.80 g/mol
LogP4.14
Rot. Bonds4

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

ethyl 4-[(4-chlorobenzoyl)amino]-2-methylthiophene-3-carboxylate (PubChem CID 900044) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is ethyl 4-[(4-chlorobenzoyl)amino]-2-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-chlorobenzoyl)amino]-2-methylthiophene-3-carboxylate
PubChem CID900044
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Nameethyl 4-[(4-chlorobenzoyl)amino]-2-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)csc1C
InChIInChI=1S/C15H14ClNO3S/c1-3-20-15(19)13-9(2)21-8-12(13)17-14(18)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyDQZXTHZAQYESSN-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-chlorobenzoyl)amino]-2-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 4-[(4-chlorobenzoyl)amino]-2-methylthiophene-3-carboxylate (CID 900044) is ethyl 4-[(4-chlorobenzoyl)amino]-2-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-[(4-chlorobenzoyl)amino]-2-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 4-[(4-chlorobenzoyl)amino]-2-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)csc1C.
What is the InChIKey of ethyl 4-[(4-chlorobenzoyl)amino]-2-methylthiophene-3-carboxylate?
The InChIKey is DQZXTHZAQYESSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-3-20-15(19)13-9(2)21-8-12(13)17-14(18)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of ethyl 4-[(4-chlorobenzoyl)amino]-2-methylthiophene-3-carboxylate?
ethyl 4-[(4-chlorobenzoyl)amino]-2-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 4-[(4-chlorobenzoyl)amino]-2-methylthiophene-3-carboxylate is sourced from PubChem (CID 900044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).