2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C28H26N4O3S — CID 24570246

IUPAC2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCc1ccc(-n2c(SCC(=O)Nc3ccccc3N3CCCC3=O)nc3ccccc3c2=O)cc1
InChIInChI=1S/C28H26N4O3S/c1-2-19-13-15-20(16-14-19)32-27(35)21-8-3-4-9-22(21)30-28(32)36-18-25(33)29-23-10-5-6-11-24(23)31-17-7-12-26(31)34/h3-6,8-11,13-16H,2,7,12,17-18H2,1H3,(H,29,33)
InChIKeyLJKOMVPTTLYAIW-UHFFFAOYSA-N
MW498.61 g/mol
LogP4.81
Rot. Bonds7

About 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 24570246) has the molecular formula C28H26N4O3S and a molecular weight of 498.61 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID24570246
Molecular FormulaC28H26N4O3S
Molecular Weight498.61 g/mol
Exact Mass498.17
IUPAC Name2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCc1ccc(-n2c(SCC(=O)Nc3ccccc3N3CCCC3=O)nc3ccccc3c2=O)cc1
InChIInChI=1S/C28H26N4O3S/c1-2-19-13-15-20(16-14-19)32-27(35)21-8-3-4-9-22(21)30-28(32)36-18-25(33)29-23-10-5-6-11-24(23)31-17-7-12-26(31)34/h3-6,8-11,13-16H,2,7,12,17-18H2,1H3,(H,29,33)
InChIKeyLJKOMVPTTLYAIW-UHFFFAOYSA-N
XLogP4.81
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide with MolForge

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Related Compounds

2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27697648
N-(2-chloro-3-pyridinyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4799006
N-(2,6-diethylphenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16534179
N-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 16534199
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 2605057
3-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2605126
N-(3,4-dimethylphenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23964945
N-[4-(cyanomethyl)phenyl]-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 46821334
2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46668570
N-(2,6-dichloro-3-methylphenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23762941
N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 27925046
N-(2-bromophenyl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3675546

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 24570246) is 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CCc1ccc(-n2c(SCC(=O)Nc3ccccc3N3CCCC3=O)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is LJKOMVPTTLYAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3S/c1-2-19-13-15-20(16-14-19)32-27(35)21-8-3-4-9-22(21)30-28(32)36-18-25(33)29-23-10-5-6-11-24(23)31-17-7-12-26(31)34/h3-6,8-11,13-16H,2,7,12,17-18H2,1H3,(H,29,33).
What are the key properties of 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 498.61 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 24570246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).