3-chloro-5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide

C18H16ClNO2S — CID 19225626

IUPAC3-chloro-5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)NCCc3ccccc3)c(Cl)c2c1
InChIInChI=1S/C18H16ClNO2S/c1-22-13-7-8-15-14(11-13)16(19)17(23-15)18(21)20-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,20,21)
InChIKeyROLUYRTYEHHLLD-UHFFFAOYSA-N
MW345.85 g/mol
LogP4.54
Rot. Bonds5

About 3-chloro-5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide

3-chloro-5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 19225626) has the molecular formula C18H16ClNO2S and a molecular weight of 345.85 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide
PubChem CID19225626
Molecular FormulaC18H16ClNO2S
Molecular Weight345.85 g/mol
Exact Mass345.06
IUPAC Name3-chloro-5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)NCCc3ccccc3)c(Cl)c2c1
InChIInChI=1S/C18H16ClNO2S/c1-22-13-7-8-15-14(11-13)16(19)17(23-15)18(21)20-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,20,21)
InChIKeyROLUYRTYEHHLLD-UHFFFAOYSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-methoxy-N-(2-phenylethyl)-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

3-chloro-5-methoxy-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 19225566
N-(4-butylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225588
methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 2801561
phenyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 19225760
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 23654864
methyl 3-methoxy-5-(2-phenylethylcarbamoylamino)-1-benzothiophene-2-carboxylate
CID 53106902
5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 119502573
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 675725
N-benzyl-5-chloro-3-methoxy-1-benzothiophene-2-carboxamide
CID 50846024
N-(2-butoxyphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225604
3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 19225659

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide (CID 19225626) is 3-chloro-5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide is COc1ccc2sc(C(=O)NCCc3ccccc3)c(Cl)c2c1.
What is the InChIKey of 3-chloro-5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is ROLUYRTYEHHLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2S/c1-22-13-7-8-15-14(11-13)16(19)17(23-15)18(21)20-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,20,21).
What are the key properties of 3-chloro-5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide?
3-chloro-5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 345.85 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 19225626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).