2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-phenylethyl)acetamide

C14H17NO3S — CID 21179634

IUPAC2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CC1C=CS(=O)(=O)C1)NCCc1ccccc1
InChIInChI=1S/C14H17NO3S/c16-14(10-13-7-9-19(17,18)11-13)15-8-6-12-4-2-1-3-5-12/h1-5,7,9,13H,6,8,10-11H2,(H,15,16)
InChIKeyUZSFDDKTPGMOGG-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.29
Rot. Bonds5

About 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-phenylethyl)acetamide

2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-phenylethyl)acetamide (PubChem CID 21179634) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-phenylethyl)acetamide
PubChem CID21179634
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CC1C=CS(=O)(=O)C1)NCCc1ccccc1
InChIInChI=1S/C14H17NO3S/c16-14(10-13-7-9-19(17,18)11-13)15-8-6-12-4-2-1-3-5-12/h1-5,7,9,13H,6,8,10-11H2,(H,15,16)
InChIKeyUZSFDDKTPGMOGG-UHFFFAOYSA-N
XLogP1.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide
CID 99972089
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
3-(benzylamino)-N-(2-phenylethyl)propanamide
CID 109018924
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
methyl 2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate
CID 7116289
2-morpholin-2-yl-N-(2-phenylethyl)acetamide
CID 66434342
N-(2-phenylethyl)-2-(propylamino)acetamide
CID 54818782
2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide
CID 112604896
4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid
CID 10022111
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-phenylethyl)acetamide (CID 21179634) is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-phenylethyl)acetamide is O=C(CC1C=CS(=O)(=O)C1)NCCc1ccccc1.
What is the InChIKey of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is UZSFDDKTPGMOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c16-14(10-13-7-9-19(17,18)11-13)15-8-6-12-4-2-1-3-5-12/h1-5,7,9,13H,6,8,10-11H2,(H,15,16).
What are the key properties of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-phenylethyl)acetamide?
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 279.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 21179634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).