3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

C19H17ClN2O3S — CID 17218930

IUPAC3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCOCCNC(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1
InChIInChI=1S/C19H17ClN2O3S/c1-25-10-9-21-18(23)12-5-4-6-13(11-12)22-19(24)17-16(20)14-7-2-3-8-15(14)26-17/h2-8,11H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyVKZBQOMTPFEYOQ-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.18
Rot. Bonds6

About 3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 17218930) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is 3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID17218930
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCOCCNC(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1
InChIInChI=1S/C19H17ClN2O3S/c1-25-10-9-21-18(23)12-5-4-6-13(11-12)22-19(24)17-16(20)14-7-2-3-8-15(14)26-17/h2-8,11H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyVKZBQOMTPFEYOQ-UHFFFAOYSA-N
XLogP4.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-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

N-(3-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 607008
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
3-chloro-N-[3-(1-phenylethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 43877739
ethyl 3-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]benzoate
CID 9228140
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
CID 19225608
methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052619
3-chloro-N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
CID 17150441
2-ethoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17219003
N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 1348159
methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 993999
2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]ethyl pyridine-4-carboxylate
CID 2632805

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (CID 17218930) is 3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is COCCNC(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is VKZBQOMTPFEYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-25-10-9-21-18(23)12-5-4-6-13(11-12)22-19(24)17-16(20)14-7-2-3-8-15(14)26-17/h2-8,11H,9-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 388.88 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17218930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).