N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide

C13H18N2O2S — CID 66217235

IUPACN-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide
SMILESCC(N)CSCC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C13H18N2O2S/c1-10(14)8-18-9-13(17)15-12(16)7-11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3,(H,15,16,17)
InChIKeyHFQXLDWSRGTBLQ-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.95
Rot. Bonds6

About N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide

N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide (PubChem CID 66217235) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide
PubChem CID66217235
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide
SMILESCC(N)CSCC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C13H18N2O2S/c1-10(14)8-18-9-13(17)15-12(16)7-11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3,(H,15,16,17)
InChIKeyHFQXLDWSRGTBLQ-UHFFFAOYSA-N
XLogP0.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[2-oxo-2-[(2-phenylacetyl)amino]ethyl]sulfanylpropanoic acid
CID 64914908
2-(2-aminopropylsulfanyl)-N-benzylacetamide
CID 66220422
N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide
CID 103705558
2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 66219214
(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide
CID 174682682
N-(2-methylpropanethioyl)-2-phenylacetamide
CID 134493410
2-(2-aminopropylsulfanyl)acetic acid
CID 66217411
2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide
CID 66217003
acetic acid;(3S)-3-amino-4-oxo-4-[(2-phenylacetyl)amino]butanoic acid
CID 18653902
N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide
CID 66289888
3-(2-aminopropylsulfanyl)-N-phenylpropanamide
CID 66220664
1-(3-hydroxy-2-methylpropyl)sulfanyl-3-phenylpropan-2-one
CID 66103400

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide?
The IUPAC name of N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide (CID 66217235) is N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide is CC(N)CSCC(=O)NC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide?
The InChIKey is HFQXLDWSRGTBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-10(14)8-18-9-13(17)15-12(16)7-11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3,(H,15,16,17).
What are the key properties of N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide?
N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide has a molecular weight of 266.37 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide is sourced from PubChem (CID 66217235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).