2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

C15H20N2O4S2 — CID 5198516

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N(C)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C15H20N2O4S2/c1-11(18)16-12-3-5-14(6-4-12)22-9-15(19)17(2)13-7-8-23(20,21)10-13/h3-6,13H,7-10H2,1-2H3,(H,16,18)
InChIKeyRBYDJAIXTZEEOP-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.38
Rot. Bonds5

About 2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (PubChem CID 5198516) has the molecular formula C15H20N2O4S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
PubChem CID5198516
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N(C)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C15H20N2O4S2/c1-11(18)16-12-3-5-14(6-4-12)22-9-15(19)17(2)13-7-8-23(20,21)10-13/h3-6,13H,7-10H2,1-2H3,(H,16,18)
InChIKeyRBYDJAIXTZEEOP-UHFFFAOYSA-N
XLogP1.38
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (CID 5198516) is 2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is CC(=O)Nc1ccc(SCC(=O)N(C)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The InChIKey is RBYDJAIXTZEEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c1-11(18)16-12-3-5-14(6-4-12)22-9-15(19)17(2)13-7-8-23(20,21)10-13/h3-6,13H,7-10H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide has a molecular weight of 356.47 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is sourced from PubChem (CID 5198516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).