2-methyl-N-(3-methylsulfanylphenyl)propanamide

C11H15NOS — CID 837891

IUPAC2-methyl-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C11H15NOS/c1-8(2)11(13)12-9-5-4-6-10(7-9)14-3/h4-8H,1-3H3,(H,12,13)
InChIKeyUESCGFYZASHTJY-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.00
Rot. Bonds3

About 2-methyl-N-(3-methylsulfanylphenyl)propanamide

2-methyl-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 837891) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-methyl-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylsulfanylphenyl)propanamide
PubChem CID837891
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-methyl-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C11H15NOS/c1-8(2)11(13)12-9-5-4-6-10(7-9)14-3/h4-8H,1-3H3,(H,12,13)
InChIKeyUESCGFYZASHTJY-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4'-Mercaptoacetanilide
CID 70777
Isobutyranilide
CID 20436
2-Acetamidophenyl phenyl sulfide
CID 365383
2,3-Dihydro-1,5-benzothiazepin-4(5H)-one
CID 96471
2-Methyl-1,5-benzothiazepin-4(5H)-one
CID 44913
N-[3-(methylsulfanyl)phenyl]propanamide
CID 837887
2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
CID 2728636
4'-(Methylsulfonyl)acetanilide
CID 257586
4'-(Methylthio)acetanilide
CID 289475
Acetamide, N-(4-(phenylthio)phenyl)-
CID 148713
S-(4-acetamidophenyl) ethanethioate
CID 247471
3-(Methylthio)phenylurea
CID 2731248

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-methyl-N-(3-methylsulfanylphenyl)propanamide (CID 837891) is 2-methyl-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-methyl-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of 2-methyl-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is UESCGFYZASHTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8(2)11(13)12-9-5-4-6-10(7-9)14-3/h4-8H,1-3H3,(H,12,13).
What are the key properties of 2-methyl-N-(3-methylsulfanylphenyl)propanamide?
2-methyl-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 209.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 837891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).