N-(2-methoxyethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C20H21N3O4S — CID 2595562

IUPACN-(2-methoxyethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1
InChIInChI=1S/C20H21N3O4S/c1-26-11-10-21-18(24)13-28-20-22-17-9-4-3-8-16(17)19(25)23(20)14-6-5-7-15(12-14)27-2/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyYCJAHIIIQDSLLQ-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.25
Rot. Bonds8

About N-(2-methoxyethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(2-methoxyethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 2595562) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID2595562
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(2-methoxyethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1
InChIInChI=1S/C20H21N3O4S/c1-26-11-10-21-18(24)13-28-20-22-17-9-4-3-8-16(17)19(25)23(20)14-6-5-7-15(12-14)27-2/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyYCJAHIIIQDSLLQ-UHFFFAOYSA-N
XLogP2.25
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 2595562) is N-(2-methoxyethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is YCJAHIIIQDSLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-26-11-10-21-18(24)13-28-20-22-17-9-4-3-8-16(17)19(25)23(20)14-6-5-7-15(12-14)27-2/h3-9,12H,10-11,13H2,1-2H3,(H,21,24).
What are the key properties of N-(2-methoxyethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(2-methoxyethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 399.47 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 2595562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).