N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide

C13H13NO2S — CID 55204660

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1ccsc1
InChIInChI=1S/C13H13NO2S/c15-8-11-3-1-2-10(6-11)7-14-13(16)12-4-5-17-9-12/h1-6,9,15H,7-8H2,(H,14,16)
InChIKeyAEORGYCYGCYTPU-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.17
Rot. Bonds4

About N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide

N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide (PubChem CID 55204660) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
PubChem CID55204660
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1ccsc1
InChIInChI=1S/C13H13NO2S/c15-8-11-3-1-2-10(6-11)7-14-13(16)12-4-5-17-9-12/h1-6,9,15H,7-8H2,(H,14,16)
InChIKeyAEORGYCYGCYTPU-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 63311259
N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 17436374
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
CID 47148514
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103956150
4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107216600
N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 107233527
N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide
CID 47183552
3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide
CID 115663338

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide (CID 55204660) is N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide is O=C(NCc1cccc(CO)c1)c1ccsc1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide?
The InChIKey is AEORGYCYGCYTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c15-8-11-3-1-2-10(6-11)7-14-13(16)12-4-5-17-9-12/h1-6,9,15H,7-8H2,(H,14,16).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide?
N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.17, 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]thiophene-3-carboxamide is sourced from PubChem (CID 55204660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).