N-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide

C20H23NO2S — CID 132652302

IUPACN-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide
SMILESC=CCSc1ccccc1C(=O)NC(CC)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO2S/c1-4-14-24-19-9-7-6-8-17(19)20(22)21-18(5-2)15-10-12-16(23-3)13-11-15/h4,6-13,18H,1,5,14H2,2-3H3,(H,21,22)
InChIKeyXUGAADKFTSWKAG-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.85
Rot. Bonds8

About N-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide

N-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide (PubChem CID 132652302) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide
PubChem CID132652302
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide
SMILESC=CCSc1ccccc1C(=O)NC(CC)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO2S/c1-4-14-24-19-9-7-6-8-17(19)20(22)21-18(5-2)15-10-12-16(23-3)13-11-15/h4,6-13,18H,1,5,14H2,2-3H3,(H,21,22)
InChIKeyXUGAADKFTSWKAG-UHFFFAOYSA-N
XLogP4.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 134030712
N-[1-(4-methoxyphenyl)propyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55371853
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
CID 28979661
2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51187408
3-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]naphthalene-2-carboxamide
CID 9115734
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide
CID 132655838
N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-nitrobenzamide
CID 43886215
N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide
CID 28575186
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 24547727

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide (CID 132652302) is N-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide is C=CCSc1ccccc1C(=O)NC(CC)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide?
The InChIKey is XUGAADKFTSWKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-4-14-24-19-9-7-6-8-17(19)20(22)21-18(5-2)15-10-12-16(23-3)13-11-15/h4,6-13,18H,1,5,14H2,2-3H3,(H,21,22).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide?
N-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide has a molecular weight of 341.48 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide is sourced from PubChem (CID 132652302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).