N-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide

C21H23N5OS — CID 4101336

IUPACN-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
SMILESCN1CCN(NC(=O)CSc2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C21H23N5OS/c1-25-11-13-26(14-12-25)24-19(27)15-28-21-22-18-10-6-5-9-17(18)20(23-21)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,24,27)
InChIKeyHTUSJSXZKDRLJD-UHFFFAOYSA-N
MW393.52 g/mol
LogP2.67
Rot. Bonds5

About N-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide

N-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide (PubChem CID 4101336) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
PubChem CID4101336
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC NameN-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
SMILESCN1CCN(NC(=O)CSc2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C21H23N5OS/c1-25-11-13-26(14-12-25)24-19(27)15-28-21-22-18-10-6-5-9-17(18)20(23-21)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,24,27)
InChIKeyHTUSJSXZKDRLJD-UHFFFAOYSA-N
XLogP2.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-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-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
CID 3359750
N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
CID 7223501
2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
CID 9205759
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55425463
2-[2-(2-methylanilino)-2-oxoethyl]sulfanylquinazoline-4-carboxylic acid
CID 44723920
2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
CID 9205666
2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
CID 83016661
3-[[2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetyl]amino]propanoate
CID 7424882
2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate
CID 40598517
N-(4-methylpiperazin-1-yl)butanamide
CID 4129194
N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide
CID 23606567
1-benzyl-3-(4-methylpiperazin-1-yl)urea
CID 107653207

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide (CID 4101336) is N-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide is CN1CCN(NC(=O)CSc2nc(-c3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is HTUSJSXZKDRLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-25-11-13-26(14-12-25)24-19(27)15-28-21-22-18-10-6-5-9-17(18)20(23-21)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,24,27).
What are the key properties of N-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide?
N-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 393.52 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 4101336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).