2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C24H27N3O2S — CID 4814473

IUPAC2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCCCCn1c(SCC(=O)NC2CCCc3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C24H27N3O2S/c1-2-3-15-27-23(29)19-12-6-7-13-21(19)26-24(27)30-16-22(28)25-20-14-8-10-17-9-4-5-11-18(17)20/h4-7,9,11-13,20H,2-3,8,10,14-16H2,1H3,(H,25,28)
InChIKeyFBCYLTJLSAKEGY-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.48
Rot. Bonds7

About 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 4814473) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID4814473
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCCCCn1c(SCC(=O)NC2CCCc3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C24H27N3O2S/c1-2-3-15-27-23(29)19-12-6-7-13-21(19)26-24(27)30-16-22(28)25-20-14-8-10-17-9-4-5-11-18(17)20/h4-7,9,11-13,20H,2-3,8,10,14-16H2,1H3,(H,25,28)
InChIKeyFBCYLTJLSAKEGY-UHFFFAOYSA-N
XLogP4.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4814452
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41093974
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4875981
2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7224491
2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7224492
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 35056173
N-cycloheptyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4822867
2-(2-methylquinazolin-4-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7133886
2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4819183
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 11939264
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide
CID 2691088
N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide
CID 7856771

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 4814473) is 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CCCCn1c(SCC(=O)NC2CCCc3ccccc32)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is FBCYLTJLSAKEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-2-3-15-27-23(29)19-12-6-7-13-21(19)26-24(27)30-16-22(28)25-20-14-8-10-17-9-4-5-11-18(17)20/h4-7,9,11-13,20H,2-3,8,10,14-16H2,1H3,(H,25,28).
What are the key properties of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 421.57 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 4814473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).