N-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide

C18H19NO3S — CID 6458135

IUPACN-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide
SMILESO=C(NC1CCS(=O)(=O)C1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3S/c20-18(19-16-11-12-23(21,22)13-16)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,19,20)
InChIKeyKKGINQXZNRFNSR-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.12
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide

N-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide (PubChem CID 6458135) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide
PubChem CID6458135
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide
SMILESO=C(NC1CCS(=O)(=O)C1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3S/c20-18(19-16-11-12-23(21,22)13-16)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,19,20)
InChIKeyKKGINQXZNRFNSR-UHFFFAOYSA-N
XLogP2.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide (CID 6458135) is N-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide is O=C(NC1CCS(=O)(=O)C1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide?
The InChIKey is KKGINQXZNRFNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c20-18(19-16-11-12-23(21,22)13-16)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,19,20).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide?
N-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide has a molecular weight of 329.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 6458135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).