N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide

C16H13NO2S — CID 115577883

IUPACN-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1cc2ccccc2s1
InChIInChI=1S/C16H13NO2S/c18-13-7-5-11(6-8-13)10-17-16(19)15-9-12-3-1-2-4-14(12)20-15/h1-9,18H,10H2,(H,17,19)
InChIKeyRDWVRXLDYAYFKY-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.54
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide

N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 115577883) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID115577883
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC NameN-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1cc2ccccc2s1
InChIInChI=1S/C16H13NO2S/c18-13-7-5-11(6-8-13)10-17-16(19)15-9-12-3-1-2-4-14(12)20-15/h1-9,18H,10H2,(H,17,19)
InChIKeyRDWVRXLDYAYFKY-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-benzothiophene-2-carbonylamino)methyl]benzoic acid
CID 45302589
N-[(4-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 70919647
N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 63311495
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 41311876
N-[[3-(chloromethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 114302345
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-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26445074
N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
CID 47008465
N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 32603799
N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 86950363
N-(2,2-difluoro-3-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 113462659

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide (CID 115577883) is N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide is O=C(NCc1ccc(O)cc1)c1cc2ccccc2s1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is RDWVRXLDYAYFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c18-13-7-5-11(6-8-13)10-17-16(19)15-9-12-3-1-2-4-14(12)20-15/h1-9,18H,10H2,(H,17,19).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide?
N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 115577883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).