N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide

C17H15NO2S — CID 43393393

IUPACN-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C17H15NO2S/c19-14(12-6-2-1-3-7-12)11-18-17(20)16-10-13-8-4-5-9-15(13)21-16/h1-10,14,19H,11H2,(H,18,20)
InChIKeyXSEMQKDLIHVMJI-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.36
Rot. Bonds4

About N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide

N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 43393393) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide
PubChem CID43393393
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC NameN-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C17H15NO2S/c19-14(12-6-2-1-3-7-12)11-18-17(20)16-10-13-8-4-5-9-15(13)21-16/h1-10,14,19H,11H2,(H,18,20)
InChIKeyXSEMQKDLIHVMJI-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 110889455
N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide
CID 66176243
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 103723346
methyl 3-(1-benzothiophene-2-carbonylamino)-2-hydroxypropanoate
CID 103879191
N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide
CID 110209283
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
3-(1-benzothiophene-2-carbonylamino)-2-methoxypropanoic acid
CID 106107256
N-(2-bromo-3-ethylpentyl)-1-benzothiophene-2-carboxamide
CID 106288355
5-(1-benzothiophene-2-carbonylamino)pentanoic acid
CID 62033392
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62665755
N-(2-chloro-4,4-dimethylpentyl)-1-benzothiophene-2-carboxamide
CID 107157129
2-[[2-(1-benzothiophene-2-carbonylamino)acetyl]amino]acetic acid
CID 43388124

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide (CID 43393393) is N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide is O=C(NCC(O)c1ccccc1)c1cc2ccccc2s1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is XSEMQKDLIHVMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c19-14(12-6-2-1-3-7-12)11-18-17(20)16-10-13-8-4-5-9-15(13)21-16/h1-10,14,19H,11H2,(H,18,20).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide?
N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 43393393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).