3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide

C11H10ClNO2S — CID 18169005

IUPAC3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide
SMILESCCONC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C11H10ClNO2S/c1-2-15-13-11(14)10-9(12)7-5-3-4-6-8(7)16-10/h3-6H,2H2,1H3,(H,13,14)
InChIKeyWLJUJGZKPMLDFR-UHFFFAOYSA-N
MW255.73 g/mol
LogP3.24
Rot. Bonds3

About 3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide

3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide (PubChem CID 18169005) has the molecular formula C11H10ClNO2S and a molecular weight of 255.73 g/mol. Its IUPAC name is 3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide
PubChem CID18169005
Molecular FormulaC11H10ClNO2S
Molecular Weight255.73 g/mol
Exact Mass255.01
IUPAC Name3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide
SMILESCCONC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C11H10ClNO2S/c1-2-15-13-11(14)10-9(12)7-5-3-4-6-8(7)16-10/h3-6H,2H2,1H3,(H,13,14)
InChIKeyWLJUJGZKPMLDFR-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2166794
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 977596
3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide
CID 83201945
O-propyl N-(3-chloro-1-benzothiophene-2-carbonyl)carbamothioate
CID 2227579
methyl (2S)-2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-ethylpentanoate
CID 95781043
methyl 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-2-hydroxypropanoate
CID 103879219
3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 43240664
3-chloro-N-[(E)-pentan-2-ylideneamino]-1-benzothiophene-2-carboxamide
CID 19685326

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide (CID 18169005) is 3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide is CCONC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide?
The InChIKey is WLJUJGZKPMLDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S/c1-2-15-13-11(14)10-9(12)7-5-3-4-6-8(7)16-10/h3-6H,2H2,1H3,(H,13,14).
What are the key properties of 3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide?
3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide has a molecular weight of 255.73 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18169005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).