N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide

C11H15NO2S — CID 107023733

IUPACN-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
SMILESCOc1cccc(CNC(=O)CCS)c1
InChIInChI=1S/C11H15NO2S/c1-14-10-4-2-3-9(7-10)8-12-11(13)5-6-15/h2-4,7,15H,5-6,8H2,1H3,(H,12,13)
InChIKeyWRDFVIXUINEICG-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.63
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide

N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide (PubChem CID 107023733) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
PubChem CID107023733
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
SMILESCOc1cccc(CNC(=O)CCS)c1
InChIInChI=1S/C11H15NO2S/c1-14-10-4-2-3-9(7-10)8-12-11(13)5-6-15/h2-4,7,15H,5-6,8H2,1H3,(H,12,13)
InChIKeyWRDFVIXUINEICG-UHFFFAOYSA-N
XLogP1.63
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.63
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

2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
N-[(3-methoxyphenyl)methyl]octadec-9-enamide
CID 86237122
3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46401457
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525110

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide (CID 107023733) is N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide is COc1cccc(CNC(=O)CCS)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide?
The InChIKey is WRDFVIXUINEICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-14-10-4-2-3-9(7-10)8-12-11(13)5-6-15/h2-4,7,15H,5-6,8H2,1H3,(H,12,13).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide?
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide has a molecular weight of 225.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide is sourced from PubChem (CID 107023733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).