N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide

C14H20N2O2S — CID 120832661

IUPACN-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide
SMILESCNC(C)CNC(=O)CSCC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O2S/c1-11(15-2)8-16-14(18)10-19-9-13(17)12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3,(H,16,18)
InChIKeyYUJHRNSEYKFLML-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.33
Rot. Bonds8

About N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide

N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide (PubChem CID 120832661) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide
PubChem CID120832661
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide
SMILESCNC(C)CNC(=O)CSCC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O2S/c1-11(15-2)8-16-14(18)10-19-9-13(17)12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3,(H,16,18)
InChIKeyYUJHRNSEYKFLML-UHFFFAOYSA-N
XLogP1.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride
CID 120829828
N-(3-aminobutyl)-2-phenacylsulfanylacetamide;hydrochloride
CID 119495825
(2S)-2-[(2-phenacylsulfanylacetyl)amino]propanoic acid
CID 119238424
N-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide
CID 119626774
N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 120827351
(2R)-3-methyl-2-[(2-phenacylsulfanylacetyl)amino]butanoic acid
CID 119369606
N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 120827131
2-phenacylsulfanyl-N-phenylacetamide
CID 569693
N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide
CID 120831568
2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide
CID 120831411
N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide
CID 95158742
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 120829825

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide?
The IUPAC name of N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide (CID 120832661) is N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide?
The canonical SMILES for N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide is CNC(C)CNC(=O)CSCC(=O)c1ccccc1.
What is the InChIKey of N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide?
The InChIKey is YUJHRNSEYKFLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-11(15-2)8-16-14(18)10-19-9-13(17)12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide?
N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide has a molecular weight of 280.39 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide is sourced from PubChem (CID 120832661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).