2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide

C21H23N3O2S — CID 2605057

IUPAC2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(CC)cc1
InChIInChI=1S/C21H23N3O2S/c1-3-13-22-19(25)14-27-21-23-18-8-6-5-7-17(18)20(26)24(21)16-11-9-15(4-2)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKeyLJYMHWJMEUUVDW-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.57
Rot. Bonds7

About 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide

2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide (PubChem CID 2605057) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
PubChem CID2605057
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(CC)cc1
InChIInChI=1S/C21H23N3O2S/c1-3-13-22-19(25)14-27-21-23-18-8-6-5-7-17(18)20(26)24(21)16-11-9-15(4-2)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKeyLJYMHWJMEUUVDW-UHFFFAOYSA-N
XLogP3.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 27925046
2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 2607673
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentylacetamide
CID 9491417
N-(2,6-diethylphenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16534179
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 7277003
N-(3,4-dimethylphenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23964945
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-phenylpropyl)acetamide
CID 29142086
N-(2,6-dichloro-3-methylphenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23762941
N-[4-(cyanomethyl)phenyl]-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 46821334
2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 2396679
N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide
CID 2545587
N-(2-chloro-3-pyridinyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4799006

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide?
The IUPAC name of 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide (CID 2605057) is 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide?
The canonical SMILES for 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide is CCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(CC)cc1.
What is the InChIKey of 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide?
The InChIKey is LJYMHWJMEUUVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-3-13-22-19(25)14-27-21-23-18-8-6-5-7-17(18)20(26)24(21)16-11-9-15(4-2)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide?
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide has a molecular weight of 381.50 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide is sourced from PubChem (CID 2605057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).