N-[3-(hydroxymethyl)phenyl]-2-thiophen-3-ylpropanamide

C14H15NO2S — CID 111437304

IUPACN-[3-(hydroxymethyl)phenyl]-2-thiophen-3-ylpropanamide
SMILESCC(C(=O)Nc1cccc(CO)c1)c1ccsc1
InChIInChI=1S/C14H15NO2S/c1-10(12-5-6-18-9-12)14(17)15-13-4-2-3-11(7-13)8-16/h2-7,9-10,16H,8H2,1H3,(H,15,17)
InChIKeyLAKYRDFCPSHUJY-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.98
Rot. Bonds4

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

N-[3-(hydroxymethyl)phenyl]-2-thiophen-3-ylpropanamide (PubChem CID 111437304) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-2-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-2-thiophen-3-ylpropanamide
PubChem CID111437304
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-[3-(hydroxymethyl)phenyl]-2-thiophen-3-ylpropanamide
SMILESCC(C(=O)Nc1cccc(CO)c1)c1ccsc1
InChIInChI=1S/C14H15NO2S/c1-10(12-5-6-18-9-12)14(17)15-13-4-2-3-11(7-13)8-16/h2-7,9-10,16H,8H2,1H3,(H,15,17)
InChIKeyLAKYRDFCPSHUJY-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide
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CID 61179301
N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
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N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880177
1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
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1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea
CID 131994372
2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
CID 60638329
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide
CID 60629921
3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide
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N-[3-(hydroxymethyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-thiophen-3-ylpropanamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-thiophen-3-ylpropanamide (CID 111437304) is N-[3-(hydroxymethyl)phenyl]-2-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-2-thiophen-3-ylpropanamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-2-thiophen-3-ylpropanamide is CC(C(=O)Nc1cccc(CO)c1)c1ccsc1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-2-thiophen-3-ylpropanamide?
The InChIKey is LAKYRDFCPSHUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10(12-5-6-18-9-12)14(17)15-13-4-2-3-11(7-13)8-16/h2-7,9-10,16H,8H2,1H3,(H,15,17).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-2-thiophen-3-ylpropanamide?
N-[3-(hydroxymethyl)phenyl]-2-thiophen-3-ylpropanamide has a molecular weight of 261.35 g/mol, XLogP of 2.98, 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]-2-thiophen-3-ylpropanamide is sourced from PubChem (CID 111437304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).