N-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C24H31N3O3S — CID 4881545

IUPACN-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOCCn1c(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)nc2ccccc2c1=O
InChIInChI=1S/C24H31N3O3S/c1-30-7-6-27-22(29)19-4-2-3-5-20(19)26-23(27)31-14-21(28)25-15-24-11-16-8-17(12-24)10-18(9-16)13-24/h2-5,16-18H,6-15H2,1H3,(H,25,28)
InChIKeyVEPWYHLAWYBYSX-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.47
Rot. Bonds8

About N-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 4881545) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID4881545
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOCCn1c(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)nc2ccccc2c1=O
InChIInChI=1S/C24H31N3O3S/c1-30-7-6-27-22(29)19-4-2-3-5-20(19)26-23(27)31-14-21(28)25-15-24-11-16-8-17(12-24)10-18(9-16)13-24/h2-5,16-18H,6-15H2,1H3,(H,25,28)
InChIKeyVEPWYHLAWYBYSX-UHFFFAOYSA-N
XLogP3.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8981568
N-[(2-chlorophenyl)methyl]-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7455992
N'-[2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]benzohydrazide
CID 2610566
2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 4093102
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 2610667
N-benzyl-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2611271
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 11920225
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 7856953
2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one
CID 7455931
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 2610706
N-(5-chloro-2-pyridinyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3544836
N-(1-adamantyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3299749

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 4881545) is N-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is COCCn1c(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)nc2ccccc2c1=O.
What is the InChIKey of N-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is VEPWYHLAWYBYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-30-7-6-27-22(29)19-4-2-3-5-20(19)26-23(27)31-14-21(28)25-15-24-11-16-8-17(12-24)10-18(9-16)13-24/h2-5,16-18H,6-15H2,1H3,(H,25,28).
What are the key properties of N-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 441.60 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 4881545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).