ethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate

C15H14ClNO3S — CID 2354399

IUPACethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2Cl)csc1NC(C)=O
InChIInChI=1S/C15H14ClNO3S/c1-3-20-15(19)13-11(8-21-14(13)17-9(2)18)10-6-4-5-7-12(10)16/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyRYRBMUSHEMHBEW-UHFFFAOYSA-N
MW323.80 g/mol
LogP4.20
Rot. Bonds4

About ethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate

ethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate (PubChem CID 2354399) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is ethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate
PubChem CID2354399
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Nameethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2Cl)csc1NC(C)=O
InChIInChI=1S/C15H14ClNO3S/c1-3-20-15(19)13-11(8-21-14(13)17-9(2)18)10-6-4-5-7-12(10)16/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyRYRBMUSHEMHBEW-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 23761318
ethyl 4-(2-chlorophenyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 18231326
[2-[[4-(2-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl] furan-3-carboxylate
CID 46649168
ethyl 4-(2-chlorophenyl)-2-[[2-(4-cyanobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 23770991
[2-[[4-(2-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl] quinoxaline-2-carboxylate
CID 30031853
ethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate
CID 735051
ethyl 2-acetamido-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 734061
ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 2807643
ethyl 2-[[2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]oxyacetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylate
CID 2448230
ethyl 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 2382749
ethyl 4-(2-chlorophenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 2168788
4-[[4-(2-chlorophenyl)-3-methoxycarbonylthiophen-2-yl]amino]-4-oxobutanoate
CID 4217639

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate (CID 2354399) is ethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(C)=O.
What is the InChIKey of ethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate?
The InChIKey is RYRBMUSHEMHBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-3-20-15(19)13-11(8-21-14(13)17-9(2)18)10-6-4-5-7-12(10)16/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate?
ethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate has a molecular weight of 323.80 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate is sourced from PubChem (CID 2354399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).