2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide

C20H23N3OS — CID 3221498

IUPAC2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2ccccc12
InChIInChI=1S/C20H23N3OS/c21-17(24)11-25-18-15-3-1-2-4-16(15)22-19(23-18)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H2,21,24)
InChIKeyKMSWDYZTQYLDLG-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.67
Rot. Bonds4

About 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide

2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide (PubChem CID 3221498) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide
PubChem CID3221498
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2ccccc12
InChIInChI=1S/C20H23N3OS/c21-17(24)11-25-18-15-3-1-2-4-16(15)22-19(23-18)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H2,21,24)
InChIKeyKMSWDYZTQYLDLG-UHFFFAOYSA-N
XLogP3.67
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-N-m-tolyl-acetamide
CID 856981
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-1-(4-methyl-piperidin-1-yl)-ethanone
CID 856987
2-(2-Cyclopropylquinazolin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 1435085
Propan-2-yl 2-(2-benzylquinazolin-4-yl)sulfanylacetate
CID 1442567
N-Cyclopentyl-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442575
(2-Phenyl-quinazolin-4-ylsulfanyl)-acetonitrile
CID 3141919
CID 3221482
CID 3221482
6-{[(4-Methylphenyl)thio]methyl}-2-[(4-methylquinazolin-2-yl)amino]pyrimidin-4-ol
CID 135496492
2-[(4,8-dimethylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(1H)-one
CID 135449809
(2-Isopropyl-quinazolin-4-ylsulfanyl)-acetic acid methyl ester
CID 652110
2-(2-Ethyl-quinazolin-4-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 652846
Methyl [(2-phenylquinazolin-4-yl)sulfanyl]acetate
CID 865071

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide?
The IUPAC name of 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide (CID 3221498) is 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide.
What is the SMILES notation for 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide?
The canonical SMILES for 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide is NC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2ccccc12.
What is the InChIKey of 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide?
The InChIKey is KMSWDYZTQYLDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c21-17(24)11-25-18-15-3-1-2-4-16(15)22-19(23-18)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H2,21,24).
What are the key properties of 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide?
2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide has a molecular weight of 353.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide is sourced from PubChem (CID 3221498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).