2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide

C14H22N2OS — CID 79147255

IUPAC2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
SMILESCc1cccc(SCC(=O)NC(C)C(C)C)c1N
InChIInChI=1S/C14H22N2OS/c1-9(2)11(4)16-13(17)8-18-12-7-5-6-10(3)14(12)15/h5-7,9,11H,8,15H2,1-4H3,(H,16,17)
InChIKeyHYUVPDCMGAFMPE-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.83
Rot. Bonds5

About 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide

2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide (PubChem CID 79147255) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
PubChem CID79147255
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
SMILESCc1cccc(SCC(=O)NC(C)C(C)C)c1N
InChIInChI=1S/C14H22N2OS/c1-9(2)11(4)16-13(17)8-18-12-7-5-6-10(3)14(12)15/h5-7,9,11H,8,15H2,1-4H3,(H,16,17)
InChIKeyHYUVPDCMGAFMPE-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide 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-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43302612
2-(2-amino-3-methylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79147339
2-(2-amino-3-methylphenyl)sulfanyl-N-(cyanomethyl)acetamide
CID 79146657
2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 79147488
2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 79129764
2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide
CID 79146926
2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 79147428
2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 79147398
2-(2-amino-3-methylphenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 79129205
2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43299357
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79130947

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide (CID 79147255) is 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide is Cc1cccc(SCC(=O)NC(C)C(C)C)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is HYUVPDCMGAFMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9(2)11(4)16-13(17)8-18-12-7-5-6-10(3)14(12)15/h5-7,9,11H,8,15H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 79147255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).