N-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

C15H19N3O2S — CID 135444241

IUPACN-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCC(C)CCNC(=O)CSc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H19N3O2S/c1-10(2)7-8-16-13(19)9-21-15-17-12-6-4-3-5-11(12)14(20)18-15/h3-6,10H,7-9H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyCNAJMTDCWZHJTH-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.18
Rot. Bonds6

About N-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

N-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (PubChem CID 135444241) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
PubChem CID135444241
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCC(C)CCNC(=O)CSc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H19N3O2S/c1-10(2)7-8-16-13(19)9-21-15-17-12-6-4-3-5-11(12)14(20)18-15/h3-6,10H,7-9H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyCNAJMTDCWZHJTH-UHFFFAOYSA-N
XLogP2.18
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]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 N-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (CID 135444241) is N-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is CC(C)CCNC(=O)CSc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The InChIKey is CNAJMTDCWZHJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(2)7-8-16-13(19)9-21-15-17-12-6-4-3-5-11(12)14(20)18-15/h3-6,10H,7-9H2,1-2H3,(H,16,19)(H,17,18,20).
What are the key properties of N-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
N-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135444241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).