2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide

C20H23N3O2S — CID 4775451

IUPAC2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nn1c(=S)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H23N3O2S/c24-17(11-20-8-12-5-13(9-20)7-14(6-12)10-20)22-23-18(25)15-3-1-2-4-16(15)21-19(23)26/h1-4,12-14H,5-11H2,(H,21,26)(H,22,24)
InChIKeyGOIHANDFZAMYJR-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.74
Rot. Bonds3

About 2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide

2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide (PubChem CID 4775451) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
PubChem CID4775451
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nn1c(=S)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H23N3O2S/c24-17(11-20-8-12-5-13(9-20)7-14(6-12)10-20)22-23-18(25)15-3-1-2-4-16(15)21-19(23)26/h1-4,12-14H,5-11H2,(H,21,26)(H,22,24)
InChIKeyGOIHANDFZAMYJR-UHFFFAOYSA-N
XLogP3.74
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
CID 3391433
2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
CID 4048190
3-(3,5-dimethylpyrazol-1-yl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 3461189
N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-2-phenylbutanamide
CID 2797243
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
(2R)-N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 8927315
2-(1-adamantyl)-N-(1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
CID 53236845
4-ethoxy-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide
CID 3311158
N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 19580792
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755545
1,5-dimethyl-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)pyrazole-3-carboxamide
CID 17021541
2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
CID 139249629

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide (CID 4775451) is 2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nn1c(=S)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide?
The InChIKey is GOIHANDFZAMYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-17(11-20-8-12-5-13(9-20)7-14(6-12)10-20)22-23-18(25)15-3-1-2-4-16(15)21-19(23)26/h1-4,12-14H,5-11H2,(H,21,26)(H,22,24).
What are the key properties of 2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide?
2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide has a molecular weight of 369.49 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide is sourced from PubChem (CID 4775451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).