N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide

C18H21NO2S — CID 43906041

IUPACN-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H21NO2S/c1-12-5-10-17(13(2)11-12)19-18(20)14(3)22-16-8-6-15(21-4)7-9-16/h5-11,14H,1-4H3,(H,19,20)
InChIKeyOCNZSLCPLAPDIE-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.43
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide

N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 43906041) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID43906041
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H21NO2S/c1-12-5-10-17(13(2)11-12)19-18(20)14(3)22-16-8-6-15(21-4)7-9-16/h5-11,14H,1-4H3,(H,19,20)
InChIKeyOCNZSLCPLAPDIE-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 32676805
(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide
CID 846798
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9398153
methyl 2-[4-[2-(4-methoxyphenyl)sulfanylpropanoylamino]-3-methylphenoxy]acetate
CID 55915988
N-(2,4-dimethylphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 51235515
(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9142211
(2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 9063439
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 84919661
N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43909486
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 27971654
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide
CID 26733753

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide (CID 43906041) is N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SC(C)C(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is OCNZSLCPLAPDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-12-5-10-17(13(2)11-12)19-18(20)14(3)22-16-8-6-15(21-4)7-9-16/h5-11,14H,1-4H3,(H,19,20).
What are the key properties of N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 315.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 43906041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).