2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide

C24H23N3O2S — CID 5217741

IUPAC2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESCCC(C)n1c(SCC(=O)Nc2cccc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C24H23N3O2S/c1-3-16(2)27-23(29)19-12-6-7-13-21(19)26-24(27)30-15-22(28)25-20-14-8-10-17-9-4-5-11-18(17)20/h4-14,16H,3,15H2,1-2H3,(H,25,28)
InChIKeyKTVPXAAWGFYNBM-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.25
Rot. Bonds6

About 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide

2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 5217741) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID5217741
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESCCC(C)n1c(SCC(=O)Nc2cccc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C24H23N3O2S/c1-3-16(2)27-23(29)19-12-6-7-13-21(19)26-24(27)30-15-22(28)25-20-14-8-10-17-9-4-5-11-18(17)20/h4-14,16H,3,15H2,1-2H3,(H,25,28)
InChIKeyKTVPXAAWGFYNBM-UHFFFAOYSA-N
XLogP5.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 2624390
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 2529480
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
CID 2624480
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 4813828
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide
CID 16542453
2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-tert-butylacetamide
CID 2529333
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7428484
N'-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]benzohydrazide
CID 2627146
ethyl N-[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]carbamate
CID 2635460
3-[(2S)-butan-2-yl]-2-phenacylsulfanylquinazolin-4-one
CID 2624453
2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide
CID 8807558
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 4300691

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide (CID 5217741) is 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide is CCC(C)n1c(SCC(=O)Nc2cccc3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is KTVPXAAWGFYNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-3-16(2)27-23(29)19-12-6-7-13-21(19)26-24(27)30-15-22(28)25-20-14-8-10-17-9-4-5-11-18(17)20/h4-14,16H,3,15H2,1-2H3,(H,25,28).
What are the key properties of 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 417.53 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 5217741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).