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

C14H22N2OS — CID 66229760

IUPAC2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSC(C)CCN)cc1
InChIInChI=1S/C14H22N2OS/c1-3-12-4-6-13(7-5-12)16-14(17)10-18-11(2)8-9-15/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyZWWZZBNHFLNSGM-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.66
Rot. Bonds7

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

2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide (PubChem CID 66229760) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide
PubChem CID66229760
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSC(C)CCN)cc1
InChIInChI=1S/C14H22N2OS/c1-3-12-4-6-13(7-5-12)16-14(17)10-18-11(2)8-9-15/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyZWWZZBNHFLNSGM-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide
CID 66230503
4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide
CID 66228849
2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide
CID 66231150
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
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
(2S)-N-(2,5-dimethylphenyl)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylpropanamide
CID 7729734
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
CID 112695322
(2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7729755
2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
CID 2393833
N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47262869

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide (CID 66229760) is 2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CSC(C)CCN)cc1.
What is the InChIKey of 2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide?
The InChIKey is ZWWZZBNHFLNSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-12-4-6-13(7-5-12)16-14(17)10-18-11(2)8-9-15/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide?
2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.66, 7 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-ethylphenyl)acetamide is sourced from PubChem (CID 66229760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).