N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide

C13H13NO2S — CID 47292096

IUPACN-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cccc(O)c2)s1
InChIInChI=1S/C13H13NO2S/c1-9-5-6-12(17-9)13(16)14-8-10-3-2-4-11(15)7-10/h2-7,15H,8H2,1H3,(H,14,16)
InChIKeyRADPQFOUMRYNLF-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.69
Rot. Bonds3

About N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide

N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 47292096) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID47292096
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC NameN-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cccc(O)c2)s1
InChIInChI=1S/C13H13NO2S/c1-9-5-6-12(17-9)13(16)14-8-10-3-2-4-11(15)7-10/h2-7,15H,8H2,1H3,(H,14,16)
InChIKeyRADPQFOUMRYNLF-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 62311231
N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55904354
N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide
CID 103769243
N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 62502316
N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
5-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 27839113
N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
CID 79795606
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
N-[(3-hydroxyphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide
CID 167775273
[3-(benzylcarbamoyl)phenyl] 5-methylthiophene-2-carboxylate
CID 55342775

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide (CID 47292096) is N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCc2cccc(O)c2)s1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is RADPQFOUMRYNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-9-5-6-12(17-9)13(16)14-8-10-3-2-4-11(15)7-10/h2-7,15H,8H2,1H3,(H,14,16).
What are the key properties of N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 47292096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).