3-(2-methoxyphenyl)-N-sulfanylpropanamide

C10H13NO2S — CID 134582208

IUPAC3-(2-methoxyphenyl)-N-sulfanylpropanamide
SMILESCOc1ccccc1CCC(=O)NS
InChIInChI=1S/C10H13NO2S/c1-13-9-5-3-2-4-8(9)6-7-10(12)11-14/h2-5,14H,6-7H2,1H3,(H,11,12)
InChIKeyRNVRMZIJORCRNR-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.59
Rot. Bonds4

About 3-(2-methoxyphenyl)-N-sulfanylpropanamide

3-(2-methoxyphenyl)-N-sulfanylpropanamide (PubChem CID 134582208) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-sulfanylpropanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-sulfanylpropanamide
PubChem CID134582208
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3-(2-methoxyphenyl)-N-sulfanylpropanamide
SMILESCOc1ccccc1CCC(=O)NS
InChIInChI=1S/C10H13NO2S/c1-13-9-5-3-2-4-8(9)6-7-10(12)11-14/h2-5,14H,6-7H2,1H3,(H,11,12)
InChIKeyRNVRMZIJORCRNR-UHFFFAOYSA-N
XLogP1.59
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 51143891
N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide
CID 66175795
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
CID 106843312
N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide
CID 40730249
1-(2-methoxyphenyl)-4-methylpentan-3-one
CID 58133956
sodium 3-(2-methoxyphenyl)propanoate
CID 141006192
methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 17360384

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-sulfanylpropanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-sulfanylpropanamide (CID 134582208) is 3-(2-methoxyphenyl)-N-sulfanylpropanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-sulfanylpropanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-sulfanylpropanamide is COc1ccccc1CCC(=O)NS.
What is the InChIKey of 3-(2-methoxyphenyl)-N-sulfanylpropanamide?
The InChIKey is RNVRMZIJORCRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-13-9-5-3-2-4-8(9)6-7-10(12)11-14/h2-5,14H,6-7H2,1H3,(H,11,12).
What are the key properties of 3-(2-methoxyphenyl)-N-sulfanylpropanamide?
3-(2-methoxyphenyl)-N-sulfanylpropanamide has a molecular weight of 211.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-sulfanylpropanamide is sourced from PubChem (CID 134582208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).