N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide

C17H23N3OS — CID 3221482

IUPACN-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide
SMILESCCCCNC(=O)CSc1nc(CCC)nc2ccccc12
InChIInChI=1S/C17H23N3OS/c1-3-5-11-18-16(21)12-22-17-13-9-6-7-10-14(13)19-15(20-17)8-4-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,18,21)
InChIKeyMNVBWFKNPKNXLH-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.59
Rot. Bonds8

About N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide

N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide (PubChem CID 3221482) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide
PubChem CID3221482
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide
SMILESCCCCNC(=O)CSc1nc(CCC)nc2ccccc12
InChIInChI=1S/C17H23N3OS/c1-3-5-11-18-16(21)12-22-17-13-9-6-7-10-14(13)19-15(20-17)8-4-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,18,21)
InChIKeyMNVBWFKNPKNXLH-UHFFFAOYSA-N
XLogP3.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-2-(2-propylquinazolin-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

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide (CID 3221482) is N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide is CCCCNC(=O)CSc1nc(CCC)nc2ccccc12.
What is the InChIKey of N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is MNVBWFKNPKNXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-3-5-11-18-16(21)12-22-17-13-9-6-7-10-14(13)19-15(20-17)8-4-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,18,21).
What are the key properties of N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 317.46 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 3221482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).