N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide

C18H26N2O4S — CID 650970

IUPACN-(oxolan-2-ylmethyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide
SMILESCc1cc(C)c(NC(=O)CS(=O)CC(=O)NCC2CCCO2)c(C)c1
InChIInChI=1S/C18H26N2O4S/c1-12-7-13(2)18(14(3)8-12)20-17(22)11-25(23)10-16(21)19-9-15-5-4-6-24-15/h7-8,15H,4-6,9-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyUQHKSWQMABCDAV-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.59
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide

N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide (PubChem CID 650970) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide
PubChem CID650970
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-(oxolan-2-ylmethyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide
SMILESCc1cc(C)c(NC(=O)CS(=O)CC(=O)NCC2CCCO2)c(C)c1
InChIInChI=1S/C18H26N2O4S/c1-12-7-13(2)18(14(3)8-12)20-17(22)11-25(23)10-16(21)19-9-15-5-4-6-24-15/h7-8,15H,4-6,9-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyUQHKSWQMABCDAV-UHFFFAOYSA-N
XLogP1.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide (CID 650970) is N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide is Cc1cc(C)c(NC(=O)CS(=O)CC(=O)NCC2CCCO2)c(C)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide?
The InChIKey is UQHKSWQMABCDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-12-7-13(2)18(14(3)8-12)20-17(22)11-25(23)10-16(21)19-9-15-5-4-6-24-15/h7-8,15H,4-6,9-11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide?
N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide has a molecular weight of 366.48 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide is sourced from PubChem (CID 650970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).