4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide

C14H22N2O2S — CID 119805754

IUPAC4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide
SMILESCNCCCC(=O)NC(CS(C)=O)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-15-10-6-9-14(17)16-13(11-19(2)18)12-7-4-3-5-8-12/h3-5,7-8,13,15H,6,9-11H2,1-2H3,(H,16,17)
InChIKeyDVUOUXOPCSYYJG-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.22
Rot. Bonds8

About 4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide

4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide (PubChem CID 119805754) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide
PubChem CID119805754
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide
SMILESCNCCCC(=O)NC(CS(C)=O)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-15-10-6-9-14(17)16-13(11-19(2)18)12-7-4-3-5-8-12/h3-5,7-8,13,15H,6,9-11H2,1-2H3,(H,16,17)
InChIKeyDVUOUXOPCSYYJG-UHFFFAOYSA-N
XLogP1.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2-diphenylethyl)-4-(methylamino)butanamide
CID 119689852
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
methyl 4-[4-(methylamino)butanoylamino]-4-phenylbutanoate
CID 119777925
2-[4-(methylamino)butanoylamino]-2-phenylacetic acid
CID 61157870
N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-4-(methylamino)butanamide
CID 119765071
4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride
CID 119835993
4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide
CID 119884880
2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide
CID 96526173
2-(3-hydroxyphenyl)-N-(2-methylsulfinyl-1-phenylethyl)acetamide
CID 71863857
N-(1,2-diphenylethyl)pentanamide
CID 134014505
2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide
CID 95778372
N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide
CID 60849585

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide?
The IUPAC name of 4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide (CID 119805754) is 4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide is CNCCCC(=O)NC(CS(C)=O)c1ccccc1.
What is the InChIKey of 4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide?
The InChIKey is DVUOUXOPCSYYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-15-10-6-9-14(17)16-13(11-19(2)18)12-7-4-3-5-8-12/h3-5,7-8,13,15H,6,9-11H2,1-2H3,(H,16,17).
What are the key properties of 4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide?
4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide has a molecular weight of 282.41 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide is sourced from PubChem (CID 119805754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).