3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide

C15H18ClNO2S — CID 19225565

IUPAC3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide
SMILESCCCCCNC(=O)c1sc2ccc(OC)cc2c1Cl
InChIInChI=1S/C15H18ClNO2S/c1-3-4-5-8-17-15(18)14-13(16)11-9-10(19-2)6-7-12(11)20-14/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyKQLFANBAPDUQTD-UHFFFAOYSA-N
MW311.83 g/mol
LogP4.48
Rot. Bonds6

About 3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide

3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide (PubChem CID 19225565) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide
PubChem CID19225565
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Name3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide
SMILESCCCCCNC(=O)c1sc2ccc(OC)cc2c1Cl
InChIInChI=1S/C15H18ClNO2S/c1-3-4-5-8-17-15(18)14-13(16)11-9-10(19-2)6-7-12(11)20-14/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyKQLFANBAPDUQTD-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-5-methoxy-N-pentyl-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-(2-phenylethyl)-1-benzothiophene-2-carboxamide
CID 19225626
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
3-chloro-6-methyl-N-octyl-1-benzothiophene-2-carboxamide
CID 4081322
3-chloro-6-methyl-N-undecyl-1-benzothiophene-2-carboxamide
CID 4207704
N-(2-butoxyphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225604
methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 2801561
5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 119502573
5-butoxy-3-chloro-1-benzothiophene-2-carboxylic acid
CID 84750761
4-methoxy-N-pentylbenzamide
CID 3113360
3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 19225659
3-chloro-6-methoxy-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 34315616

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide (CID 19225565) is 3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide is CCCCCNC(=O)c1sc2ccc(OC)cc2c1Cl.
What is the InChIKey of 3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide?
The InChIKey is KQLFANBAPDUQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S/c1-3-4-5-8-17-15(18)14-13(16)11-9-10(19-2)6-7-12(11)20-14/h6-7,9H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of 3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide?
3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide has a molecular weight of 311.83 g/mol, XLogP of 4.48, 6 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-pentyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 19225565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).