2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide

C13H16N2O3S — CID 60693984

IUPAC2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNC2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C13H16N2O3S/c1-10-2-4-11(5-3-10)15-13(16)8-14-12-6-7-19(17,18)9-12/h2-7,12,14H,8-9H2,1H3,(H,15,16)
InChIKeyUAMDRNFCXHCTNH-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.83
Rot. Bonds4

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

2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide (PubChem CID 60693984) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide
PubChem CID60693984
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNC2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C13H16N2O3S/c1-10-2-4-11(5-3-10)15-13(16)8-14-12-6-7-19(17,18)9-12/h2-7,12,14H,8-9H2,1H3,(H,15,16)
InChIKeyUAMDRNFCXHCTNH-UHFFFAOYSA-N
XLogP0.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide (CID 60693984) is 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNC2C=CS(=O)(=O)C2)cc1.
What is the InChIKey of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide?
The InChIKey is UAMDRNFCXHCTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-10-2-4-11(5-3-10)15-13(16)8-14-12-6-7-19(17,18)9-12/h2-7,12,14H,8-9H2,1H3,(H,15,16).
What are the key properties of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide?
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide has a molecular weight of 280.35 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 60693984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).