N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide

C12H17NOS — CID 115166992

IUPACN-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide
SMILESCC(C)c1ccc(N(C)C(=O)CS)cc1
InChIInChI=1S/C12H17NOS/c1-9(2)10-4-6-11(7-5-10)13(3)12(14)8-15/h4-7,9,15H,8H2,1-3H3
InChIKeyTZQQLNIRJUECPA-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.70
Rot. Bonds3

About N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide

N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide (PubChem CID 115166992) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide
PubChem CID115166992
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide
SMILESCC(C)c1ccc(N(C)C(=O)CS)cc1
InChIInChI=1S/C12H17NOS/c1-9(2)10-4-6-11(7-5-10)13(3)12(14)8-15/h4-7,9,15H,8H2,1-3H3
InChIKeyTZQQLNIRJUECPA-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-propan-2-ylphenyl)-2-sulfanylacetamide
CID 21131546
N-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide
CID 115167080
2-(ethylamino)-N-methyl-N-(4-propan-2-ylphenyl)acetamide
CID 115157740
N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride
CID 115194451
2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119807717
7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide
CID 119807713
N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide
CID 115175423
N-methyl-N-(4-methylsulfonylphenyl)-2-sulfanylacetamide
CID 115167078
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]butanoic acid
CID 115185890
N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 115160298
methyl 2-(N-methyl-4-propan-2-ylanilino)-2-oxoacetate
CID 115142231
2-(N-methyl-4-propan-2-ylanilino)acetic acid
CID 82113002

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide?
The IUPAC name of N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide (CID 115166992) is N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide?
The canonical SMILES for N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide is CC(C)c1ccc(N(C)C(=O)CS)cc1.
What is the InChIKey of N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide?
The InChIKey is TZQQLNIRJUECPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9(2)10-4-6-11(7-5-10)13(3)12(14)8-15/h4-7,9,15H,8H2,1-3H3.
What are the key properties of N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide?
N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide has a molecular weight of 223.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide is sourced from PubChem (CID 115166992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).