2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C18H17N3O3S — CID 654165

IUPAC2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCOc1ccccc1-n1c(SCC(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C18H17N3O3S/c1-2-24-15-10-6-5-9-14(15)21-17(23)12-7-3-4-8-13(12)20-18(21)25-11-16(19)22/h3-10H,2,11H2,1H3,(H2,19,22)
InChIKeyRPBLCXVTFUTTCW-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.36
Rot. Bonds6

About 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 654165) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID654165
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCOc1ccccc1-n1c(SCC(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C18H17N3O3S/c1-2-24-15-10-6-5-9-14(15)21-17(23)12-7-3-4-8-13(12)20-18(21)25-11-16(19)22/h3-10H,2,11H2,1H3,(H2,19,22)
InChIKeyRPBLCXVTFUTTCW-UHFFFAOYSA-N
XLogP2.36
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 654165) is 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is CCOc1ccccc1-n1c(SCC(N)=O)nc2ccccc2c1=O.
What is the InChIKey of 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is RPBLCXVTFUTTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-2-24-15-10-6-5-9-14(15)21-17(23)12-7-3-4-8-13(12)20-18(21)25-11-16(19)22/h3-10H,2,11H2,1H3,(H2,19,22).
What are the key properties of 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 355.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 654165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).