N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide

C21H22N4O4S2 — CID 3616560

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H22N4O4S2/c1-15-6-7-16(12-19(15)31(27,28)25-8-10-29-11-9-25)24-20(26)13-30-21-17-4-2-3-5-18(17)22-14-23-21/h2-7,12,14H,8-11,13H2,1H3,(H,24,26)
InChIKeyUJHQQCCOBPSWSI-UHFFFAOYSA-N
MW458.57 g/mol
LogP2.69
Rot. Bonds6

About N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 3616560) has the molecular formula C21H22N4O4S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID3616560
Molecular FormulaC21H22N4O4S2
Molecular Weight458.57 g/mol
Exact Mass458.11
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H22N4O4S2/c1-15-6-7-16(12-19(15)31(27,28)25-8-10-29-11-9-25)24-20(26)13-30-21-17-4-2-3-5-18(17)22-14-23-21/h2-7,12,14H,8-11,13H2,1H3,(H,24,26)
InChIKeyUJHQQCCOBPSWSI-UHFFFAOYSA-N
XLogP2.69
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide 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-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide (CID 3616560) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide is Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is UJHQQCCOBPSWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S2/c1-15-6-7-16(12-19(15)31(27,28)25-8-10-29-11-9-25)24-20(26)13-30-21-17-4-2-3-5-18(17)22-14-23-21/h2-7,12,14H,8-11,13H2,1H3,(H,24,26).
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 458.57 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 3616560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).