2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide

C18H33N3O2S — CID 175646624

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide
SMILESCCOC1CCCCC1NC(=O)CSC1NCNC2CCCCC21
InChIInChI=1S/C18H33N3O2S/c1-2-23-16-10-6-5-9-15(16)21-17(22)11-24-18-13-7-3-4-8-14(13)19-12-20-18/h13-16,18-20H,2-12H2,1H3,(H,21,22)
InChIKeyOUHGEXHKSPTGKJ-UHFFFAOYSA-N
MW355.55 g/mol
LogP2.22
Rot. Bonds6

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide

2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide (PubChem CID 175646624) has the molecular formula C18H33N3O2S and a molecular weight of 355.55 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide
PubChem CID175646624
Molecular FormulaC18H33N3O2S
Molecular Weight355.55 g/mol
Exact Mass355.23
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide
SMILESCCOC1CCCCC1NC(=O)CSC1NCNC2CCCCC21
InChIInChI=1S/C18H33N3O2S/c1-2-23-16-10-6-5-9-15(16)21-17(22)11-24-18-13-7-3-4-8-14(13)19-12-20-18/h13-16,18-20H,2-12H2,1H3,(H,21,22)
InChIKeyOUHGEXHKSPTGKJ-UHFFFAOYSA-N
XLogP2.22
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide (CID 175646624) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide is CCOC1CCCCC1NC(=O)CSC1NCNC2CCCCC21.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide?
The InChIKey is OUHGEXHKSPTGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2S/c1-2-23-16-10-6-5-9-15(16)21-17(22)11-24-18-13-7-3-4-8-14(13)19-12-20-18/h13-16,18-20H,2-12H2,1H3,(H,21,22).
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide has a molecular weight of 355.55 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide is sourced from PubChem (CID 175646624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).