2-tert-butylsulfanyl-N-methyl-N-phenylacetamide

C13H19NOS — CID 23518875

IUPAC2-tert-butylsulfanyl-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H19NOS/c1-13(2,3)16-10-12(15)14(4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyMIUNXEBPYLJVKQ-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.18
Rot. Bonds3

About 2-tert-butylsulfanyl-N-methyl-N-phenylacetamide

2-tert-butylsulfanyl-N-methyl-N-phenylacetamide (PubChem CID 23518875) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-methyl-N-phenylacetamide
PubChem CID23518875
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-tert-butylsulfanyl-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H19NOS/c1-13(2,3)16-10-12(15)14(4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyMIUNXEBPYLJVKQ-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butylsulfanyl-N-methyl-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[2-(N-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 81222480
N,4,4-trimethyl-3-oxo-N-phenylpentanamide
CID 134872382
N-methyl-N-phenyl-2-pyrrol-1-ylacetamide
CID 110688597
N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 95899111
2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 62822694
2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781233
N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
CID 107365756
4-[methyl-(2-phenylsulfanylacetyl)amino]benzoic acid
CID 104698113
[2-(N-methylanilino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77059925
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 79269292
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 7876428

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-methyl-N-phenylacetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-methyl-N-phenylacetamide (CID 23518875) is 2-tert-butylsulfanyl-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-methyl-N-phenylacetamide is CN(C(=O)CSC(C)(C)C)c1ccccc1.
What is the InChIKey of 2-tert-butylsulfanyl-N-methyl-N-phenylacetamide?
The InChIKey is MIUNXEBPYLJVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-13(2,3)16-10-12(15)14(4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-N-methyl-N-phenylacetamide?
2-tert-butylsulfanyl-N-methyl-N-phenylacetamide has a molecular weight of 237.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-methyl-N-phenylacetamide is sourced from PubChem (CID 23518875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).