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

C17H13Cl2NO3S — CID 19225752

IUPAC3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)Nc3cc(Cl)ccc3OC)c(Cl)c2c1
InChIInChI=1S/C17H13Cl2NO3S/c1-22-10-4-6-14-11(8-10)15(19)16(24-14)17(21)20-12-7-9(18)3-5-13(12)23-2/h3-8H,1-2H3,(H,20,21)
InChIKeyWEUSEWGKFTXTET-UHFFFAOYSA-N
MW382.27 g/mol
LogP5.48
Rot. Bonds4

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

3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 19225752) has the molecular formula C17H13Cl2NO3S and a molecular weight of 382.27 g/mol. Its IUPAC name is 3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide
PubChem CID19225752
Molecular FormulaC17H13Cl2NO3S
Molecular Weight382.27 g/mol
Exact Mass381.00
IUPAC Name3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)Nc3cc(Cl)ccc3OC)c(Cl)c2c1
InChIInChI=1S/C17H13Cl2NO3S/c1-22-10-4-6-14-11(8-10)15(19)16(24-14)17(21)20-12-7-9(18)3-5-13(12)23-2/h3-8H,1-2H3,(H,20,21)
InChIKeyWEUSEWGKFTXTET-UHFFFAOYSA-N
XLogP5.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.27
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-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-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225755
N-(2-butoxyphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225604
methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 2801561
3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 19225659
(4-chloro-2-methylphenyl) 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 19225783
N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225620
(4-chlorophenyl) 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 19225778
3-chloro-5-methoxy-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 19225645
methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
CID 19225608
3-chloro-5-methoxy-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 19225687
(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate
CID 3332616
N-(5-chloro-2-methoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33314112

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide (CID 19225752) is 3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide is COc1ccc2sc(C(=O)Nc3cc(Cl)ccc3OC)c(Cl)c2c1.
What is the InChIKey of 3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is WEUSEWGKFTXTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO3S/c1-22-10-4-6-14-11(8-10)15(19)16(24-14)17(21)20-12-7-9(18)3-5-13(12)23-2/h3-8H,1-2H3,(H,20,21).
What are the key properties of 3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide?
3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 382.27 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 19225752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).