N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C21H24N4O5S — CID 135869204

IUPACN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H24N4O5S/c1-4-30-17-10-9-14(13-18(17)31(28,29)25(2)3)22-20(26)12-11-19-23-16-8-6-5-7-15(16)21(27)24-19/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)(H,23,24,27)
InChIKeyHMRZBWNLYXQNPR-UHFFFAOYSA-N
MW444.51 g/mol
LogP2.14
Rot. Bonds8

About N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135869204) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135869204
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H24N4O5S/c1-4-30-17-10-9-14(13-18(17)31(28,29)25(2)3)22-20(26)12-11-19-23-16-8-6-5-7-15(16)21(27)24-19/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)(H,23,24,27)
InChIKeyHMRZBWNLYXQNPR-UHFFFAOYSA-N
XLogP2.14
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135877243
3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 35955668
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135886771
N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570381
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135767361
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
N-[2-(dimethylsulfamoyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637114
2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 9470167
N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135893495

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135869204) is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is CCOc1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is HMRZBWNLYXQNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-4-30-17-10-9-14(13-18(17)31(28,29)25(2)3)22-20(26)12-11-19-23-16-8-6-5-7-15(16)21(27)24-19/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)(H,23,24,27).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 444.51 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135869204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).