2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide

C13H20N2OS — CID 79148103

IUPAC2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
SMILESCc1cc(SCC(=O)N(C)C(C)C)ccc1N
InChIInChI=1S/C13H20N2OS/c1-9(2)15(4)13(16)8-17-11-5-6-12(14)10(3)7-11/h5-7,9H,8,14H2,1-4H3
InChIKeyVPFDGYBWWPNARF-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.54
Rot. Bonds4

About 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide

2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide (PubChem CID 79148103) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
PubChem CID79148103
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
SMILESCc1cc(SCC(=O)N(C)C(C)C)ccc1N
InChIInChI=1S/C13H20N2OS/c1-9(2)15(4)13(16)8-17-11-5-6-12(14)10(3)7-11/h5-7,9H,8,14H2,1-4H3
InChIKeyVPFDGYBWWPNARF-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide 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-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 79128124
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79148077
2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 79129036
2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 86912273
2-(4-amino-3-methylphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide
CID 81182160
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 79126761
2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide
CID 79150403
2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79128316
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79147675
2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 79133437
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 43247392
3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol
CID 66103746

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide (CID 79148103) is 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide is Cc1cc(SCC(=O)N(C)C(C)C)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide?
The InChIKey is VPFDGYBWWPNARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(2)15(4)13(16)8-17-11-5-6-12(14)10(3)7-11/h5-7,9H,8,14H2,1-4H3.
What are the key properties of 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide?
2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide has a molecular weight of 252.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 79148103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).