N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

C15H23NOS — CID 78786783

IUPACN-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C15H23NOS/c1-11(2)13(4)16-15(17)10-18-9-14-7-5-6-12(3)8-14/h5-8,11,13H,9-10H2,1-4H3,(H,16,17)
InChIKeyZEPNIZZHFTYDFA-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.39
Rot. Bonds6

About N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 78786783) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID78786783
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C15H23NOS/c1-11(2)13(4)16-15(17)10-18-9-14-7-5-6-12(3)8-14/h5-8,11,13H,9-10H2,1-4H3,(H,16,17)
InChIKeyZEPNIZZHFTYDFA-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]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-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94828776
2-[(3-methylphenyl)methylsulfanyl]-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914560
3-methyl-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]pentanamide
CID 86976228
2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 43387082
N-[1-(3,4-dimethylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 132651277
N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 110931174
2-[(3-methylphenyl)methylsulfanyl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103722961
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 7929244
N-[(1S)-1-(1-adamantyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 7929243
N-[3-(methylamino)propyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 119432009
N-(4-hydroxy-2-methylpentyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 111447960
2-methyl-4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 80538249

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 78786783) is N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is Cc1cccc(CSCC(=O)NC(C)C(C)C)c1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is ZEPNIZZHFTYDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11(2)13(4)16-15(17)10-18-9-14-7-5-6-12(3)8-14/h5-8,11,13H,9-10H2,1-4H3,(H,16,17).
What are the key properties of N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 265.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 78786783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).