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

C18H21NO2S — CID 2948658

IUPACN-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccccc1CNC(=O)C(C)Sc1ccc(C)cc1
InChIInChI=1S/C18H21NO2S/c1-13-8-10-16(11-9-13)22-14(2)18(20)19-12-15-6-4-5-7-17(15)21-3/h4-11,14H,12H2,1-3H3,(H,19,20)
InChIKeyOZSIUEYVDJUWSI-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.80
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 2948658) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID2948658
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccccc1CNC(=O)C(C)Sc1ccc(C)cc1
InChIInChI=1S/C18H21NO2S/c1-13-8-10-16(11-9-13)22-14(2)18(20)19-12-15-6-4-5-7-17(15)21-3/h4-11,14H,12H2,1-3H3,(H,19,20)
InChIKeyOZSIUEYVDJUWSI-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide (CID 2948658) is N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide is COc1ccccc1CNC(=O)C(C)Sc1ccc(C)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is OZSIUEYVDJUWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-13-8-10-16(11-9-13)22-14(2)18(20)19-12-15-6-4-5-7-17(15)21-3/h4-11,14H,12H2,1-3H3,(H,19,20).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
N-[(2-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-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 2948658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).