N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide

C14H17NO2S — CID 110209283

IUPACN-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide
SMILESCCCC(O)CNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C14H17NO2S/c1-2-5-11(16)9-15-14(17)13-8-10-6-3-4-7-12(10)18-13/h3-4,6-8,11,16H,2,5,9H2,1H3,(H,15,17)
InChIKeyXAPWZPJDFCIVLR-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.79
Rot. Bonds5

About N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide

N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide (PubChem CID 110209283) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide
PubChem CID110209283
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide
SMILESCCCC(O)CNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C14H17NO2S/c1-2-5-11(16)9-15-14(17)13-8-10-6-3-4-7-12(10)18-13/h3-4,6-8,11,16H,2,5,9H2,1H3,(H,15,17)
InChIKeyXAPWZPJDFCIVLR-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide
CID 66176243
methyl 3-(1-benzothiophene-2-carbonylamino)-2-hydroxypropanoate
CID 103879191
N-(2-bromo-3-ethylpentyl)-1-benzothiophene-2-carboxamide
CID 106288355
N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide
CID 43393393
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 103723346
N-(3-aminobutyl)-1-benzothiophene-2-carboxamide
CID 63253981
3-(1-benzothiophene-2-carbonylamino)-2-methoxypropanoic acid
CID 106107256
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62665755
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 110889455
N-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide
CID 86941343
N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 110880623

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide (CID 110209283) is N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide is CCCC(O)CNC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide?
The InChIKey is XAPWZPJDFCIVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-2-5-11(16)9-15-14(17)13-8-10-6-3-4-7-12(10)18-13/h3-4,6-8,11,16H,2,5,9H2,1H3,(H,15,17).
What are the key properties of N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide?
N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110209283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).