N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide

C18H21NO2S — CID 2947920

IUPACN-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccc(CNC(=O)C(C)Sc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO2S/c1-13-4-10-17(11-5-13)22-14(2)18(20)19-12-15-6-8-16(21-3)9-7-15/h4-11,14H,12H2,1-3H3,(H,19,20)
InChIKeyILIRVBRVPBZLFA-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.80
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide

N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 2947920) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID2947920
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccc(CNC(=O)C(C)Sc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO2S/c1-13-4-10-17(11-5-13)22-14(2)18(20)19-12-15-6-8-16(21-3)9-7-15/h4-11,14H,12H2,1-3H3,(H,19,20)
InChIKeyILIRVBRVPBZLFA-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methoxyphenyl)-5-methyl-2,5-dihydro-1,3-thiazol-4-ol
CID 2839874
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CID 578565
N-(4-Methoxy-benzyl)-2-thiophen-2-yl-acetamide
CID 670019
4-methoxy-N-{2-[(2-methylphenyl)thio]ethyl}benzamide
CID 2216639
N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2477202
N-[2-(4-methoxyphenyl)ethyl]-2-(methylthio)benzamide
CID 2976194
3-[(2-fluorobenzyl)thio]-N-(3-methoxybenzyl)propanamide
CID 5053730
N-[1-(4-methoxyphenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 6466745
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(3-phenylsulfanylpropylamino)butan-2-yl]benzamide
CID 7999895
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxybenzamide
CID 18115526
3-(4-Methoxybenzenesulfonyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 4290528
3-(4-methoxyphenyl)sulfonyl-N-[2-(3-methylphenyl)ethyl]propanamide
CID 4290530

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide (CID 2947920) is N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide is COc1ccc(CNC(=O)C(C)Sc2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is ILIRVBRVPBZLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-13-4-10-17(11-5-13)22-14(2)18(20)19-12-15-6-8-16(21-3)9-7-15/h4-11,14H,12H2,1-3H3,(H,19,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 315.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 2947920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).