N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide

C24H26N2O4S2 — CID 3676076

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
SMILESCCN(C(=O)CSc1cc(-c2ccccc2)c2ccc(OC)cc2n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C24H26N2O4S2/c1-3-26(18-11-12-32(28,29)16-18)24(27)15-31-23-14-21(17-7-5-4-6-8-17)20-10-9-19(30-2)13-22(20)25-23/h4-10,13-14,18H,3,11-12,15-16H2,1-2H3
InChIKeyJXYSHPDMJXAQNI-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.04
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide (PubChem CID 3676076) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
PubChem CID3676076
Molecular FormulaC24H26N2O4S2
Molecular Weight470.62 g/mol
Exact Mass470.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
SMILESCCN(C(=O)CSc1cc(-c2ccccc2)c2ccc(OC)cc2n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C24H26N2O4S2/c1-3-26(18-11-12-32(28,29)16-18)24(27)15-31-23-14-21(17-7-5-4-6-8-17)20-10-9-19(30-2)13-22(20)25-23/h4-10,13-14,18H,3,11-12,15-16H2,1-2H3
InChIKeyJXYSHPDMJXAQNI-UHFFFAOYSA-N
XLogP4.04
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide (CID 3676076) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide is CCN(C(=O)CSc1cc(-c2ccccc2)c2ccc(OC)cc2n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide?
The InChIKey is JXYSHPDMJXAQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c1-3-26(18-11-12-32(28,29)16-18)24(27)15-31-23-14-21(17-7-5-4-6-8-17)20-10-9-19(30-2)13-22(20)25-23/h4-10,13-14,18H,3,11-12,15-16H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide has a molecular weight of 470.62 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3676076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).