2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide

C15H24N2OS — CID 66230503

IUPAC2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CSC(C)CCN)cc1
InChIInChI=1S/C15H24N2OS/c1-3-4-13-5-7-14(8-6-13)17-15(18)11-19-12(2)9-10-16/h5-8,12H,3-4,9-11,16H2,1-2H3,(H,17,18)
InChIKeyWKSJAFVZZCRJNB-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.05
Rot. Bonds8

About 2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide

2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide (PubChem CID 66230503) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide
PubChem CID66230503
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CSC(C)CCN)cc1
InChIInChI=1S/C15H24N2OS/c1-3-4-13-5-7-14(8-6-13)17-15(18)11-19-12(2)9-10-16/h5-8,12H,3-4,9-11,16H2,1-2H3,(H,17,18)
InChIKeyWKSJAFVZZCRJNB-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)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-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide
CID 66229760
4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide
CID 66228849
2-(3-aminobutylsulfanyl)-N-(4-propylphenyl)acetamide
CID 66233973
2-methylsulfanyl-N-(4-propylphenyl)acetamide
CID 112765657
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide
CID 66103845
2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide
CID 82180180
2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 66216878
N-[4-(cyanomethyl)phenyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 65417940
2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide
CID 2228588
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide?
The IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide (CID 66230503) is 2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide.
What is the SMILES notation for 2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide?
The canonical SMILES for 2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide is CCCc1ccc(NC(=O)CSC(C)CCN)cc1.
What is the InChIKey of 2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide?
The InChIKey is WKSJAFVZZCRJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-4-13-5-7-14(8-6-13)17-15(18)11-19-12(2)9-10-16/h5-8,12H,3-4,9-11,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide?
2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide has a molecular weight of 280.44 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide is sourced from PubChem (CID 66230503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).