2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide

C14H22N2OS — CID 66216878

IUPAC2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(CN)SCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-10(2)12-4-6-13(7-5-12)16-14(17)9-18-11(3)8-15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyYEYFMLQVHFLHMF-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.83
Rot. Bonds6

About 2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide

2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 66216878) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID66216878
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(CN)SCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-10(2)12-4-6-13(7-5-12)16-14(17)9-18-11(3)8-15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyYEYFMLQVHFLHMF-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 43392397
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide
CID 66228849
2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide
CID 66229760
2-(cyanomethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 47166085
2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 1278156
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 875299
2-amino-4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylbutanoic acid
CID 60919629
2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide
CID 66230503
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide
CID 64683934

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide (CID 66216878) is 2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide is CC(CN)SCC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is YEYFMLQVHFLHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)12-4-6-13(7-5-12)16-14(17)9-18-11(3)8-15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide?
2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 66216878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).