N-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide

C25H25N3O2S — CID 16535578

IUPACN-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(=O)NC(C)c2ccc3ccccc3c2)nc2ccccc2c1=O
InChIInChI=1S/C25H25N3O2S/c1-3-14-28-24(30)21-10-6-7-11-22(21)27-25(28)31-16-23(29)26-17(2)19-13-12-18-8-4-5-9-20(18)15-19/h4-13,15,17H,3,14,16H2,1-2H3,(H,26,29)
InChIKeyKCYJVQFJJITTQH-UHFFFAOYSA-N
MW431.56 g/mol
LogP4.93
Rot. Bonds7

About N-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide

N-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide (PubChem CID 16535578) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
PubChem CID16535578
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC NameN-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(=O)NC(C)c2ccc3ccccc3c2)nc2ccccc2c1=O
InChIInChI=1S/C25H25N3O2S/c1-3-14-28-24(30)21-10-6-7-11-22(21)27-25(28)31-16-23(29)26-17(2)19-13-12-18-8-4-5-9-20(18)15-19/h4-13,15,17H,3,14,16H2,1-2H3,(H,26,29)
InChIKeyKCYJVQFJJITTQH-UHFFFAOYSA-N
XLogP4.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 7455033
2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 9329683
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329684
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 46810378
N-[(2S)-butan-2-yl]-2-[3-[2-[2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 98274736
N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7856748
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 3900360
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 9407348
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 9407347
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 2696216
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 7856953
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 9407346

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide (CID 16535578) is N-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide is CCCn1c(SCC(=O)NC(C)c2ccc3ccccc3c2)nc2ccccc2c1=O.
What is the InChIKey of N-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is KCYJVQFJJITTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-3-14-28-24(30)21-10-6-7-11-22(21)27-25(28)31-16-23(29)26-17(2)19-13-12-18-8-4-5-9-20(18)15-19/h4-13,15,17H,3,14,16H2,1-2H3,(H,26,29).
What are the key properties of N-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide?
N-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 431.56 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 16535578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).