N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide

C14H17NO3S — CID 1243624

IUPACN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(C(C)=O)[C@@H]2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C14H17NO3S/c1-3-12-4-6-13(7-5-12)15(11(2)16)14-8-9-19(17,18)10-14/h4-9,14H,3,10H2,1-2H3/t14-/m1/s1
InChIKeyYJIMPGXTSUDXLK-CQSZACIVSA-N
MW279.36 g/mol
LogP1.91
Rot. Bonds3

About N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide

N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 1243624) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide
PubChem CID1243624
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(C(C)=O)[C@@H]2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C14H17NO3S/c1-3-12-4-6-13(7-5-12)15(11(2)16)14-8-9-19(17,18)10-14/h4-9,14H,3,10H2,1-2H3/t14-/m1/s1
InChIKeyYJIMPGXTSUDXLK-CQSZACIVSA-N
XLogP1.91
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide (CID 1243624) is N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(N(C(C)=O)[C@@H]2C=CS(=O)(=O)C2)cc1.
What is the InChIKey of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is YJIMPGXTSUDXLK-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-3-12-4-6-13(7-5-12)15(11(2)16)14-8-9-19(17,18)10-14/h4-9,14H,3,10H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide?
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 279.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 1243624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).