2-methyl-N-(2-sulfanylphenyl)propanamide

C10H13NOS — CID 22973163

IUPAC2-methyl-N-(2-sulfanylphenyl)propanamide
SMILESCC(C)C(=O)Nc1ccccc1S
InChIInChI=1S/C10H13NOS/c1-7(2)10(12)11-8-5-3-4-6-9(8)13/h3-7,13H,1-2H3,(H,11,12)
InChIKeyNWYNQWTUKVVKIY-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.57
Rot. Bonds2

About 2-methyl-N-(2-sulfanylphenyl)propanamide

2-methyl-N-(2-sulfanylphenyl)propanamide (PubChem CID 22973163) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-methyl-N-(2-sulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-sulfanylphenyl)propanamide
PubChem CID22973163
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-methyl-N-(2-sulfanylphenyl)propanamide
SMILESCC(C)C(=O)Nc1ccccc1S
InChIInChI=1S/C10H13NOS/c1-7(2)10(12)11-8-5-3-4-6-9(8)13/h3-7,13H,1-2H3,(H,11,12)
InChIKeyNWYNQWTUKVVKIY-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-sulfanylphenyl)propanamide?
The IUPAC name of 2-methyl-N-(2-sulfanylphenyl)propanamide (CID 22973163) is 2-methyl-N-(2-sulfanylphenyl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-sulfanylphenyl)propanamide?
The canonical SMILES for 2-methyl-N-(2-sulfanylphenyl)propanamide is CC(C)C(=O)Nc1ccccc1S.
What is the InChIKey of 2-methyl-N-(2-sulfanylphenyl)propanamide?
The InChIKey is NWYNQWTUKVVKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7(2)10(12)11-8-5-3-4-6-9(8)13/h3-7,13H,1-2H3,(H,11,12).
What are the key properties of 2-methyl-N-(2-sulfanylphenyl)propanamide?
2-methyl-N-(2-sulfanylphenyl)propanamide has a molecular weight of 195.29 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-sulfanylphenyl)propanamide is sourced from PubChem (CID 22973163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).