N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide

C12H11NO2S — CID 25105717

IUPACN-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1O)c1cccs1
InChIInChI=1S/C12H11NO2S/c14-10-5-2-1-4-9(10)8-13-12(15)11-6-3-7-16-11/h1-7,14H,8H2,(H,13,15)
InChIKeyWRHPXDCIHFLNLP-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.38
Rot. Bonds3

About N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide

N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 25105717) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID25105717
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC NameN-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1O)c1cccs1
InChIInChI=1S/C12H11NO2S/c14-10-5-2-1-4-9(10)8-13-12(15)11-6-3-7-16-11/h1-7,14H,8H2,(H,13,15)
InChIKeyWRHPXDCIHFLNLP-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide
CID 110471616
N-benzylthiophene-2-carboxamide
CID 574227
N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 110909020
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide
CID 108934166
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 24549403
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9270265
3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 115598761
N-(1H-pyrrol-2-ylmethyl)thiophene-2-carboxamide
CID 71684218
N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide
CID 78985953

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide (CID 25105717) is N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide is O=C(NCc1ccccc1O)c1cccs1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is WRHPXDCIHFLNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-10-5-2-1-4-9(10)8-13-12(15)11-6-3-7-16-11/h1-7,14H,8H2,(H,13,15).
What are the key properties of N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide?
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 233.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 25105717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).