N-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)acetamide

C12H13NO3S2 — CID 10493246

IUPACN-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)acetamide
SMILESCC(=O)NC1=C(Sc2ccccc2)CS(=O)(=O)C1
InChIInChI=1S/C12H13NO3S2/c1-9(14)13-11-7-18(15,16)8-12(11)17-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKeyCICFQFAEIJLPIN-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.55
Rot. Bonds3

About N-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)acetamide

N-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)acetamide (PubChem CID 10493246) has the molecular formula C12H13NO3S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)acetamide
PubChem CID10493246
Molecular FormulaC12H13NO3S2
Molecular Weight283.37 g/mol
Exact Mass283.03
IUPAC NameN-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)acetamide
SMILESCC(=O)NC1=C(Sc2ccccc2)CS(=O)(=O)C1
InChIInChI=1S/C12H13NO3S2/c1-9(14)13-11-7-18(15,16)8-12(11)17-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKeyCICFQFAEIJLPIN-UHFFFAOYSA-N
XLogP1.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)acetamide?
The IUPAC name of N-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)acetamide (CID 10493246) is N-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)acetamide?
The canonical SMILES for N-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)acetamide is CC(=O)NC1=C(Sc2ccccc2)CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)acetamide?
The InChIKey is CICFQFAEIJLPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S2/c1-9(14)13-11-7-18(15,16)8-12(11)17-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14).
What are the key properties of N-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)acetamide?
N-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)acetamide has a molecular weight of 283.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)acetamide is sourced from PubChem (CID 10493246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).