N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide

C17H15NO2S — CID 63311495

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1cc2ccccc2s1
InChIInChI=1S/C17H15NO2S/c19-11-13-5-3-4-12(8-13)10-18-17(20)16-9-14-6-1-2-7-15(14)21-16/h1-9,19H,10-11H2,(H,18,20)
InChIKeyDCGUDZJSOLFEMM-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.32
Rot. Bonds4

About N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide

N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 63311495) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
PubChem CID63311495
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1cc2ccccc2s1
InChIInChI=1S/C17H15NO2S/c19-11-13-5-3-4-12(8-13)10-18-17(20)16-9-14-6-1-2-7-15(14)21-16/h1-9,19H,10-11H2,(H,18,20)
InChIKeyDCGUDZJSOLFEMM-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(chloromethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 114302345
N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115577883
4-[(1-benzothiophene-2-carbonylamino)methyl]benzoic acid
CID 45302589
N-(1,3-benzodioxol-5-ylmethyl)-1-benzothiophene-2-carboxamide
CID 2810328
N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide
CID 51327730
N-[(4-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 70919647
4,5-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55205613
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26445074
N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
CID 47008465
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 41311876
N-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 52606280
N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide
CID 66176243

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide (CID 63311495) is N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide is O=C(NCc1cccc(CO)c1)c1cc2ccccc2s1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is DCGUDZJSOLFEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c19-11-13-5-3-4-12(8-13)10-18-17(20)16-9-14-6-1-2-7-15(14)21-16/h1-9,19H,10-11H2,(H,18,20).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide?
N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 63311495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).