N-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide

C15H20N2O2S — CID 119613813

IUPACN-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide
SMILESNCC(NC(=O)CSCC(=O)c1ccccc1)C1CC1
InChIInChI=1S/C15H20N2O2S/c16-8-13(11-6-7-11)17-15(19)10-20-9-14(18)12-4-2-1-3-5-12/h1-5,11,13H,6-10,16H2,(H,17,19)
InChIKeyYWMFRGBVJLHOAK-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.46
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide

N-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide (PubChem CID 119613813) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide
PubChem CID119613813
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide
SMILESNCC(NC(=O)CSCC(=O)c1ccccc1)C1CC1
InChIInChI=1S/C15H20N2O2S/c16-8-13(11-6-7-11)17-15(19)10-20-9-14(18)12-4-2-1-3-5-12/h1-5,11,13H,6-10,16H2,(H,17,19)
InChIKeyYWMFRGBVJLHOAK-UHFFFAOYSA-N
XLogP1.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-phenacylsulfanylacetyl)amino]propanoic acid
CID 119238424
(2R)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide
CID 95278001
(2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide
CID 95278000
N-cyclopentyl-2-phenacylsulfanylacetamide
CID 126798493
N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide
CID 65189008
N-(2-amino-1-cyclopropylethyl)-2,2-diphenylacetamide;hydrochloride
CID 119616015
4-[(2-phenacylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 119230024
2-phenacylsulfanyl-N-phenylacetamide
CID 569693
N-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride
CID 119617291
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
CID 119591993
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide
CID 51101270
N-(2-amino-1-cyclopropylethyl)-2-(2-phenylphenoxy)acetamide
CID 119613353

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide (CID 119613813) is N-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide is NCC(NC(=O)CSCC(=O)c1ccccc1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide?
The InChIKey is YWMFRGBVJLHOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-8-13(11-6-7-11)17-15(19)10-20-9-14(18)12-4-2-1-3-5-12/h1-5,11,13H,6-10,16H2,(H,17,19).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide?
N-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide has a molecular weight of 292.40 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide is sourced from PubChem (CID 119613813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).