3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide

C17H14ClNO2S — CID 678908

IUPAC3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1
InChIInChI=1S/C17H14ClNO2S/c1-2-21-12-9-7-11(8-10-12)19-17(20)16-15(18)13-5-3-4-6-14(13)22-16/h3-10H,2H2,1H3,(H,19,20)
InChIKeyDNCAMWOMXPEUKX-UHFFFAOYSA-N
MW331.82 g/mol
LogP5.21
Rot. Bonds4

About 3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 678908) has the molecular formula C17H14ClNO2S and a molecular weight of 331.82 g/mol. Its IUPAC name is 3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide
PubChem CID678908
Molecular FormulaC17H14ClNO2S
Molecular Weight331.82 g/mol
Exact Mass331.04
IUPAC Name3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1
InChIInChI=1S/C17H14ClNO2S/c1-2-21-12-9-7-11(8-10-12)19-17(20)16-15(18)13-5-3-4-6-14(13)22-16/h3-10H,2H2,1H3,(H,19,20)
InChIKeyDNCAMWOMXPEUKX-UHFFFAOYSA-N
XLogP5.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.82
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide 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

2-Chloro-N-(4-ethoxyphenyl)-5-(methylthio)benzamide
CID 603984
N-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide
CID 3978878
3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 2469877
3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide
CID 18376848
N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 676067
N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3144227
3-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 11730189
7-chloro-N-(4-ethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 16012459
3-chloro-N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 16349964
3,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 24980380
3-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 25161879
N-(4-ethoxyphenyl)-5-phenylthiophene-2-carboxamide
CID 16012298

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide (CID 678908) is 3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide is CCOc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1.
What is the InChIKey of 3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is DNCAMWOMXPEUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2S/c1-2-21-12-9-7-11(8-10-12)19-17(20)16-15(18)13-5-3-4-6-14(13)22-16/h3-10H,2H2,1H3,(H,19,20).
What are the key properties of 3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 331.82 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 678908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).