N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide

C17H19NO2S — CID 893528

IUPACN-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1cccc(NC(=O)CCSc2ccc(C)cc2)c1
InChIInChI=1S/C17H19NO2S/c1-13-6-8-16(9-7-13)21-11-10-17(19)18-14-4-3-5-15(12-14)20-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyAWZDQXXQISBJBK-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.12
Rot. Bonds6

About N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide

N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 893528) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID893528
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1cccc(NC(=O)CCSc2ccc(C)cc2)c1
InChIInChI=1S/C17H19NO2S/c1-13-6-8-16(9-7-13)21-11-10-17(19)18-14-4-3-5-15(12-14)20-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyAWZDQXXQISBJBK-UHFFFAOYSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide (CID 893528) is N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide is COc1cccc(NC(=O)CCSc2ccc(C)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is AWZDQXXQISBJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-6-8-16(9-7-13)21-11-10-17(19)18-14-4-3-5-15(12-14)20-2/h3-9,12H,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide?
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 301.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 893528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).