N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide

C14H17N3O2S — CID 7133990

IUPACN-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCOCCNC(=O)CSc1nc(C)nc2ccccc12
InChIInChI=1S/C14H17N3O2S/c1-10-16-12-6-4-3-5-11(12)14(17-10)20-9-13(18)15-7-8-19-2/h3-6H,7-9H2,1-2H3,(H,15,18)
InChIKeyZKFRXBZZLXNJLY-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.79
Rot. Bonds6

About N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide

N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide (PubChem CID 7133990) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
PubChem CID7133990
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCOCCNC(=O)CSc1nc(C)nc2ccccc12
InChIInChI=1S/C14H17N3O2S/c1-10-16-12-6-4-3-5-11(12)14(17-10)20-9-13(18)15-7-8-19-2/h3-6H,7-9H2,1-2H3,(H,15,18)
InChIKeyZKFRXBZZLXNJLY-UHFFFAOYSA-N
XLogP1.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-2-(2-methylquinazolin-4-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-[3-(3-methylphenoxy)propyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 112842061
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133917
2-(2-methylquinazolin-4-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 7627761
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7144886
2-(2-methylquinazolin-4-yl)sulfanyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87018027
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-(3-methoxypropyl)acetamide
CID 41193420
N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide
CID 7145882
N-(2-methoxyethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2588347
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide (CID 7133990) is N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide is COCCNC(=O)CSc1nc(C)nc2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is ZKFRXBZZLXNJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-16-12-6-4-3-5-11(12)14(17-10)20-9-13(18)15-7-8-19-2/h3-6H,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 291.38 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 7133990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).