N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide

C21H24N4O3S2 — CID 4187636

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2ncnc3ccccc23)ccc1C
InChIInChI=1S/C21H24N4O3S2/c1-4-25(5-2)30(27,28)19-12-16(11-10-15(19)3)24-20(26)13-29-21-17-8-6-7-9-18(17)22-14-23-21/h6-12,14H,4-5,13H2,1-3H3,(H,24,26)
InChIKeyXYCAIERVBZNEME-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.70
Rot. Bonds8

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 4187636) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide
PubChem CID4187636
Molecular FormulaC21H24N4O3S2
Molecular Weight444.58 g/mol
Exact Mass444.13
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2ncnc3ccccc23)ccc1C
InChIInChI=1S/C21H24N4O3S2/c1-4-25(5-2)30(27,28)19-12-16(11-10-15(19)3)24-20(26)13-29-21-17-8-6-7-9-18(17)22-14-23-21/h6-12,14H,4-5,13H2,1-3H3,(H,24,26)
InChIKeyXYCAIERVBZNEME-UHFFFAOYSA-N
XLogP3.70
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 42968880
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 16507709
2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 16539526
N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 2652585
N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362322
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 24559093
4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide
CID 2409976
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711948
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4799552
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16604348

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide (CID 4187636) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2ncnc3ccccc23)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is XYCAIERVBZNEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-4-25(5-2)30(27,28)19-12-16(11-10-15(19)3)24-20(26)13-29-21-17-8-6-7-9-18(17)22-14-23-21/h6-12,14H,4-5,13H2,1-3H3,(H,24,26).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 444.58 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 4187636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).