N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide

C14H15NO2S — CID 63311259

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCc1cccc(CO)c1
InChIInChI=1S/C14H15NO2S/c16-9-12-3-1-2-11(6-12)8-15-14(17)7-13-4-5-18-10-13/h1-6,10,16H,7-9H2,(H,15,17)
InChIKeyRQDWUEUHMPVFCZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.10
Rot. Bonds5

About N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide

N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 63311259) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
PubChem CID63311259
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCc1cccc(CO)c1
InChIInChI=1S/C14H15NO2S/c16-9-12-3-1-2-11(6-12)8-15-14(17)7-13-4-5-18-10-13/h1-6,10,16H,7-9H2,(H,15,17)
InChIKeyRQDWUEUHMPVFCZ-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55204660
2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107210221
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595
N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 107233866
2-(2,4-dichlorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311270
2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
CID 81322396
N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide
CID 43548608
N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 63310818
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79040356
4-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]butanamide
CID 107216596
3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide
CID 91624486

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide (CID 63311259) is N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NCc1cccc(CO)c1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is RQDWUEUHMPVFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c16-9-12-3-1-2-11(6-12)8-15-14(17)7-13-4-5-18-10-13/h1-6,10,16H,7-9H2,(H,15,17).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide?
N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 261.35 g/mol, XLogP of 2.10, 5 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]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 63311259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).