N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide

C24H29N3O2S — CID 8981568

IUPACN-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1C1CC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29N3O2S/c28-21(25-14-24-10-15-7-16(11-24)9-17(8-15)12-24)13-30-23-26-20-4-2-1-3-19(20)22(29)27(23)18-5-6-18/h1-4,15-18H,5-14H2,(H,25,28)
InChIKeyCEMDCCWAZLZEPQ-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.16
Rot. Bonds6

About N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide

N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 8981568) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID8981568
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC NameN-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1C1CC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29N3O2S/c28-21(25-14-24-10-15-7-16(11-24)9-17(8-15)12-24)13-30-23-26-20-4-2-1-3-19(20)22(29)27(23)18-5-6-18/h1-4,15-18H,5-14H2,(H,25,28)
InChIKeyCEMDCCWAZLZEPQ-UHFFFAOYSA-N
XLogP4.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4881545
2-[[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide
CID 8982041
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979979
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide
CID 17454712
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide
CID 46611934
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 2561583
N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3245927
N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8980188
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 8979867
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 7628384
N-(cyclohexylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8980360
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 7988471

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 8981568) is N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide is O=C(CSc1nc2ccccc2c(=O)n1C1CC1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is CEMDCCWAZLZEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c28-21(25-14-24-10-15-7-16(11-24)9-17(8-15)12-24)13-30-23-26-20-4-2-1-3-19(20)22(29)27(23)18-5-6-18/h1-4,15-18H,5-14H2,(H,25,28).
What are the key properties of N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 423.58 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 8981568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).