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

C11H15NOS — CID 848218

IUPACN-methyl-3-(4-methylphenyl)sulfanylpropanamide
SMILESCNC(=O)CCSc1ccc(C)cc1
InChIInChI=1S/C11H15NOS/c1-9-3-5-10(6-4-9)14-8-7-11(13)12-2/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKeyPSMNGKPGUXXDSA-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.22
Rot. Bonds4

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

N-methyl-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 848218) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is N-methyl-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID848218
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameN-methyl-3-(4-methylphenyl)sulfanylpropanamide
SMILESCNC(=O)CCSc1ccc(C)cc1
InChIInChI=1S/C11H15NOS/c1-9-3-5-10(6-4-9)14-8-7-11(13)12-2/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKeyPSMNGKPGUXXDSA-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-((4-Methylphenyl)sulfonyl)acetamide
CID 104164
2-cyano-3-[4-(methylsulfanyl)phenyl]-N-(prop-2-en-1-yl)prop-2-enamide
CID 2376321
2-[(4-methylphenyl)thio]-N-(2-phenylethyl)acetamide
CID 846869
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
N-methyl-2-phenyl-2-phenylsulfanylacetamide
CID 2889858
2-((2-Methylphenyl)thio)-acetamide
CID 36074
Acetamide, 2-(p-tolylthio)-
CID 51918
2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 846730
3-[(4-methylphenyl)sulfanyl]-N-(propan-2-yl)propanamide
CID 848239
1-{3-[(4-Methylphenyl)thio]propanoyl}pyrrolidine
CID 893368
N,N-dimethyl-3-[(4-methylphenyl)thio]propanamide
CID 893856
N-tert-butyl-3-[(4-methylphenyl)sulfanyl]propanamide
CID 900385

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-methyl-3-(4-methylphenyl)sulfanylpropanamide (CID 848218) is N-methyl-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-methyl-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-methyl-3-(4-methylphenyl)sulfanylpropanamide is CNC(=O)CCSc1ccc(C)cc1.
What is the InChIKey of N-methyl-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is PSMNGKPGUXXDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-9-3-5-10(6-4-9)14-8-7-11(13)12-2/h3-6H,7-8H2,1-2H3,(H,12,13).
What are the key properties of N-methyl-3-(4-methylphenyl)sulfanylpropanamide?
N-methyl-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 209.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 848218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).