N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C19H25N3O5S2 — CID 5170651

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCN(C(=O)CSc1nc2ccccc2c(=O)n1CCOC)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H25N3O5S2/c1-3-21(14-8-11-29(25,26)13-14)17(23)12-28-19-20-16-7-5-4-6-15(16)18(24)22(19)9-10-27-2/h4-7,14H,3,8-13H2,1-2H3
InChIKeyWMFYYUZELVONNC-UHFFFAOYSA-N
MW439.56 g/mol
LogP1.17
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 5170651) has the molecular formula C19H25N3O5S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID5170651
Molecular FormulaC19H25N3O5S2
Molecular Weight439.56 g/mol
Exact Mass439.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCN(C(=O)CSc1nc2ccccc2c(=O)n1CCOC)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H25N3O5S2/c1-3-21(14-8-11-29(25,26)13-14)17(23)12-28-19-20-16-7-5-4-6-15(16)18(24)22(19)9-10-27-2/h4-7,14H,3,8-13H2,1-2H3
InChIKeyWMFYYUZELVONNC-UHFFFAOYSA-N
XLogP1.17
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 5170651) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is CCN(C(=O)CSc1nc2ccccc2c(=O)n1CCOC)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is WMFYYUZELVONNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S2/c1-3-21(14-8-11-29(25,26)13-14)17(23)12-28-19-20-16-7-5-4-6-15(16)18(24)22(19)9-10-27-2/h4-7,14H,3,8-13H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 439.56 g/mol, XLogP of 1.17, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 5170651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).