3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide

C15H20N2O2S — CID 107323888

IUPAC3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)NCCCCCO)sc12
InChIInChI=1S/C15H20N2O2S/c1-10-6-5-7-11-12(16)14(20-13(10)11)15(19)17-8-3-2-4-9-18/h5-7,18H,2-4,8-9,16H2,1H3,(H,17,19)
InChIKeyLKXSQAQGLXWIBN-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.68
Rot. Bonds6

About 3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide

3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide (PubChem CID 107323888) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide
PubChem CID107323888
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)NCCCCCO)sc12
InChIInChI=1S/C15H20N2O2S/c1-10-6-5-7-11-12(16)14(20-13(10)11)15(19)17-8-3-2-4-9-18/h5-7,18H,2-4,8-9,16H2,1H3,(H,17,19)
InChIKeyLKXSQAQGLXWIBN-UHFFFAOYSA-N
XLogP2.68
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(5-hydroxypentyl)-7-methyl-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-amino-7-methyl-N-(3-methylsulfonylpropyl)-1-benzothiophene-2-carboxamide
CID 107112968
3-amino-7-methyl-N-[2-(methylsulfamoyl)ethyl]-1-benzothiophene-2-carboxamide
CID 106342964
3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide
CID 107112750
3-amino-7-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide
CID 107113709
3-amino-N-(4-hydroxybutan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113474
3-amino-N-(1,3-dihydroxypropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113207
3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113658
3-amino-7-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107112989
3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 107323866
3-amino-7-methyl-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112811
3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112787
3-amino-7-methyl-N-(2-methylsulfanylpropyl)-1-benzothiophene-2-carboxamide
CID 107113570

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide (CID 107323888) is 3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide is Cc1cccc2c(N)c(C(=O)NCCCCCO)sc12.
What is the InChIKey of 3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is LKXSQAQGLXWIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10-6-5-7-11-12(16)14(20-13(10)11)15(19)17-8-3-2-4-9-18/h5-7,18H,2-4,8-9,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107323888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).