N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide

C18H24N2O3S — CID 51101270

IUPACN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide
SMILESCC(NC(=O)CSCC(=O)c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C18H24N2O3S/c1-14(18(23)20-10-6-3-7-11-20)19-17(22)13-24-12-16(21)15-8-4-2-5-9-15/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,19,22)
InChIKeyYUQLRIQJMRCMLN-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.12
Rot. Bonds7

About N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide

N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide (PubChem CID 51101270) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide
PubChem CID51101270
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide
SMILESCC(NC(=O)CSCC(=O)c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C18H24N2O3S/c1-14(18(23)20-10-6-3-7-11-20)19-17(22)13-24-12-16(21)15-8-4-2-5-9-15/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,19,22)
InChIKeyYUQLRIQJMRCMLN-UHFFFAOYSA-N
XLogP2.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-methyl-2-[(2-phenacylsulfanylacetyl)amino]butanoic acid
CID 119369606
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035
2-(methylamino)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 60945403
N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide
CID 95158742
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide
CID 107034590
2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 94667978
2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide;ethane;2-phenylacetamide
CID 143447744
2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 97072978
2-methylsulfanyl-1-phenylethanone;2-methylsulfanyl-1-piperidin-1-ylethanone
CID 162075067
phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate
CID 115596760

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide?
The IUPAC name of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide (CID 51101270) is N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide.
What is the SMILES notation for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide?
The canonical SMILES for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide is CC(NC(=O)CSCC(=O)c1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide?
The InChIKey is YUQLRIQJMRCMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-14(18(23)20-10-6-3-7-11-20)19-17(22)13-24-12-16(21)15-8-4-2-5-9-15/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,19,22).
What are the key properties of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide?
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide has a molecular weight of 348.47 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide is sourced from PubChem (CID 51101270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).