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

C20H20N4O4S2 — CID 5198374

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H20N4O4S2/c25-19(13-29-20-17-6-1-2-7-18(17)21-14-22-20)23-15-4-3-5-16(12-15)30(26,27)24-8-10-28-11-9-24/h1-7,12,14H,8-11,13H2,(H,23,25)
InChIKeyLUSKRKQRUDKTJV-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.38
Rot. Bonds6

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

N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 5198374) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID5198374
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H20N4O4S2/c25-19(13-29-20-17-6-1-2-7-18(17)21-14-22-20)23-15-4-3-5-16(12-15)30(26,27)24-8-10-28-11-9-24/h1-7,12,14H,8-11,13H2,(H,23,25)
InChIKeyLUSKRKQRUDKTJV-UHFFFAOYSA-N
XLogP2.38
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 3909308
N-(1,1-dioxothiolan-3-yl)-2-quinazolin-4-ylthioacetamide
CID 4367484
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 4588530
N-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide
CID 10141912
2-(2-tert-Butyl-quinazolin-4-ylsulfanyl)-N-(4-morpholin-4-yl-phenyl)-acetamide
CID 1442464
N-(4-Dimethylsulfamoyl-phenyl)-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442618
N-(4-Morpholin-4-yl-phenyl)-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442655
N-[4-(dimethylsulfamoyl)phenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 2607891
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 3252203
2-quinazolin-4-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 3433386
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 3616560
2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3665415

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide (CID 5198374) is N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide is O=C(CSc1ncnc2ccccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is LUSKRKQRUDKTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c25-19(13-29-20-17-6-1-2-7-18(17)21-14-22-20)23-15-4-3-5-16(12-15)30(26,27)24-8-10-28-11-9-24/h1-7,12,14H,8-11,13H2,(H,23,25).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide?
N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 444.54 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 5198374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).