N-ethyl-2-(1-oxo-1-phenylbutan-2-yl)sulfanylacetamide

C14H19NO2S — CID 114234064

IUPACN-ethyl-2-(1-oxo-1-phenylbutan-2-yl)sulfanylacetamide
SMILESCCNC(=O)CSC(CC)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO2S/c1-3-12(18-10-13(16)15-4-2)14(17)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,16)
InChIKeyJHAWEQQDSFSAMT-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.52
Rot. Bonds7

About N-ethyl-2-(1-oxo-1-phenylbutan-2-yl)sulfanylacetamide

N-ethyl-2-(1-oxo-1-phenylbutan-2-yl)sulfanylacetamide (PubChem CID 114234064) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-ethyl-2-(1-oxo-1-phenylbutan-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(1-oxo-1-phenylbutan-2-yl)sulfanylacetamide
PubChem CID114234064
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-ethyl-2-(1-oxo-1-phenylbutan-2-yl)sulfanylacetamide
SMILESCCNC(=O)CSC(CC)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO2S/c1-3-12(18-10-13(16)15-4-2)14(17)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,16)
InChIKeyJHAWEQQDSFSAMT-UHFFFAOYSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-1-phenylbutan-1-one
CID 13220723
2-[(4-chlorophenyl)methylsulfanyl]-1-phenylbutan-1-one
CID 114790780
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
N-ethyl-3-phenyl-3-sulfanylidenepropanamide
CID 121218710
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
N-ethylbenzamide
CID 160772566
2,2-bis(ethylsulfanyl)-1-phenylethanone
CID 12815307
N-ethylbenzamide;hydrochloride
CID 57444995
2-(1-methylpyrazol-4-yl)sulfanyl-1-phenylbutan-1-one
CID 61385060
N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide
CID 114234945
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylbutan-1-one
CID 62306177
N-[1-(ethylamino)-1,3-dioxo-3-phenylpropan-2-yl]benzamide
CID 131862132

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-oxo-1-phenylbutan-2-yl)sulfanylacetamide?
The IUPAC name of N-ethyl-2-(1-oxo-1-phenylbutan-2-yl)sulfanylacetamide (CID 114234064) is N-ethyl-2-(1-oxo-1-phenylbutan-2-yl)sulfanylacetamide.
What is the SMILES notation for N-ethyl-2-(1-oxo-1-phenylbutan-2-yl)sulfanylacetamide?
The canonical SMILES for N-ethyl-2-(1-oxo-1-phenylbutan-2-yl)sulfanylacetamide is CCNC(=O)CSC(CC)C(=O)c1ccccc1.
What is the InChIKey of N-ethyl-2-(1-oxo-1-phenylbutan-2-yl)sulfanylacetamide?
The InChIKey is JHAWEQQDSFSAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-3-12(18-10-13(16)15-4-2)14(17)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-2-(1-oxo-1-phenylbutan-2-yl)sulfanylacetamide?
N-ethyl-2-(1-oxo-1-phenylbutan-2-yl)sulfanylacetamide has a molecular weight of 265.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-oxo-1-phenylbutan-2-yl)sulfanylacetamide is sourced from PubChem (CID 114234064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).