N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide

C20H21N5O5S2 — CID 162647479

IUPACN-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide
SMILESNS(=O)(=O)c1ccc(-n2c(SCC(=O)NN3CCOCC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H21N5O5S2/c21-32(28,29)15-7-5-14(6-8-15)25-19(27)16-3-1-2-4-17(16)22-20(25)31-13-18(26)23-24-9-11-30-12-10-24/h1-8H,9-13H2,(H,23,26)(H2,21,28,29)
InChIKeyFFKHEJCPMMPYMC-UHFFFAOYSA-N
MW475.55 g/mol
LogP0.49
Rot. Bonds6

About N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide

N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 162647479) has the molecular formula C20H21N5O5S2 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID162647479
Molecular FormulaC20H21N5O5S2
Molecular Weight475.55 g/mol
Exact Mass475.10
IUPAC NameN-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide
SMILESNS(=O)(=O)c1ccc(-n2c(SCC(=O)NN3CCOCC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H21N5O5S2/c21-32(28,29)15-7-5-14(6-8-15)25-19(27)16-3-1-2-4-17(16)22-20(25)31-13-18(26)23-24-9-11-30-12-10-24/h1-8H,9-13H2,(H,23,26)(H2,21,28,29)
InChIKeyFFKHEJCPMMPYMC-UHFFFAOYSA-N
XLogP0.49
TPSA136.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide with MolForge

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Related Compounds

2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 4842171
2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 162655134
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 41498514
2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide
CID 166606872
N-[(2-chlorophenyl)methyl]-2-[3-[4-(morpholine-4-carbonyl)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3333755
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 680931
2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid
CID 3480779
2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 23931652
2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 25038601
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 986884
N-carbamoyl-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7253259
2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 9491410

Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide (CID 162647479) is N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide is NS(=O)(=O)c1ccc(-n2c(SCC(=O)NN3CCOCC3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is FFKHEJCPMMPYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5S2/c21-32(28,29)15-7-5-14(6-8-15)25-19(27)16-3-1-2-4-17(16)22-20(25)31-13-18(26)23-24-9-11-30-12-10-24/h1-8H,9-13H2,(H,23,26)(H2,21,28,29).
What are the key properties of N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide?
N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 475.55 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 162647479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).