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

C23H27N3O2S — CID 8665776

IUPAC2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
SMILESCCc1ccccc1-n1c(SCC(=O)NCCC(C)C)nc2ccccc2c1=O
InChIInChI=1S/C23H27N3O2S/c1-4-17-9-5-8-12-20(17)26-22(28)18-10-6-7-11-19(18)25-23(26)29-15-21(27)24-14-13-16(2)3/h5-12,16H,4,13-15H2,1-3H3,(H,24,27)
InChIKeyLBVFJKVAXYMSCY-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.20
Rot. Bonds8

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

2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide (PubChem CID 8665776) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
PubChem CID8665776
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
SMILESCCc1ccccc1-n1c(SCC(=O)NCCC(C)C)nc2ccccc2c1=O
InChIInChI=1S/C23H27N3O2S/c1-4-17-9-5-8-12-20(17)26-22(28)18-10-6-7-11-19(18)25-23(26)29-15-21(27)24-14-13-16(2)3/h5-12,16H,4,13-15H2,1-3H3,(H,24,27)
InChIKeyLBVFJKVAXYMSCY-UHFFFAOYSA-N
XLogP4.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide
CID 8665777
2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 8665789
methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 1432217
2-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 16503573
N-butyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2588355
N-butyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2696019
N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2696020
N-(2-methoxyethyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 2563558
N-(2-methoxyethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2588347
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 2605057
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 2098057
(2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide
CID 8665827

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide (CID 8665776) is 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide is CCc1ccccc1-n1c(SCC(=O)NCCC(C)C)nc2ccccc2c1=O.
What is the InChIKey of 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide?
The InChIKey is LBVFJKVAXYMSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-4-17-9-5-8-12-20(17)26-22(28)18-10-6-7-11-19(18)25-23(26)29-15-21(27)24-14-13-16(2)3/h5-12,16H,4,13-15H2,1-3H3,(H,24,27).
What are the key properties of 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide?
2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide has a molecular weight of 409.56 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 8665776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).