N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide

C13H15N3O2S — CID 3895819

IUPACN-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCNC(=O)CSc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C13H15N3O2S/c1-3-14-11(17)8-19-13-15-10-7-5-4-6-9(10)12(18)16(13)2/h4-7H,3,8H2,1-2H3,(H,14,17)
InChIKeyRYESDWDACWWDFU-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.16
Rot. Bonds4

About N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide

N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 3895819) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID3895819
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCNC(=O)CSc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C13H15N3O2S/c1-3-14-11(17)8-19-13-15-10-7-5-4-6-9(10)12(18)16(13)2/h4-7H,3,8H2,1-2H3,(H,14,17)
InChIKeyRYESDWDACWWDFU-UHFFFAOYSA-N
XLogP1.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 3149105
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 5110121
N-(2,6-diethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7421338
N-(3-methylbutan-2-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 51140960
N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2696020
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34436819
N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 35772302
N-(tert-butylcarbamoyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3656560
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide
CID 16500228
N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide
CID 2545587
3-methyl-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 2980541
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2624277

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 3895819) is N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide is CCNC(=O)CSc1nc2ccccc2c(=O)n1C.
What is the InChIKey of N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is RYESDWDACWWDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-14-11(17)8-19-13-15-10-7-5-4-6-9(10)12(18)16(13)2/h4-7H,3,8H2,1-2H3,(H,14,17).
What are the key properties of N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 277.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3895819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).