N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide

C17H19NO2S — CID 2942646

IUPACN-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1cccc(NC(=O)C(C)Sc2ccc(C)cc2)c1
InChIInChI=1S/C17H19NO2S/c1-12-7-9-16(10-8-12)21-13(2)17(19)18-14-5-4-6-15(11-14)20-3/h4-11,13H,1-3H3,(H,18,19)
InChIKeyYOBKGXXALWFENT-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.12
Rot. Bonds5

About N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide

N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 2942646) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID2942646
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1cccc(NC(=O)C(C)Sc2ccc(C)cc2)c1
InChIInChI=1S/C17H19NO2S/c1-12-7-9-16(10-8-12)21-13(2)17(19)18-14-5-4-6-15(11-14)20-3/h4-11,13H,1-3H3,(H,18,19)
InChIKeyYOBKGXXALWFENT-UHFFFAOYSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26649421
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide
CID 23743067
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
(2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 951511
methyl 3-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]benzoate
CID 92672238
N-(3-methoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide
CID 19316292
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9398153
(2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide
CID 9034173
2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide
CID 55875547
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
N-[4-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 23099694

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide (CID 2942646) is N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide is COc1cccc(NC(=O)C(C)Sc2ccc(C)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is YOBKGXXALWFENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-7-9-16(10-8-12)21-13(2)17(19)18-14-5-4-6-15(11-14)20-3/h4-11,13H,1-3H3,(H,18,19).
What are the key properties of N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 301.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 2942646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).