N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C21H24N4O4S — CID 135877243

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCc1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H24N4O4S/c1-14-11-12-15(13-18(14)30(28,29)25(2)3)22-20(26)10-6-9-19-23-17-8-5-4-7-16(17)21(27)24-19/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,22,26)(H,23,24,27)
InChIKeyINFYCNDJSYAGBZ-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.44
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 135877243) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID135877243
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCc1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H24N4O4S/c1-14-11-12-15(13-18(14)30(28,29)25(2)3)22-20(26)10-6-9-19-23-17-8-5-4-7-16(17)21(27)24-19/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,22,26)(H,23,24,27)
InChIKeyINFYCNDJSYAGBZ-UHFFFAOYSA-N
XLogP2.44
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135869204
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135756626
4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide
CID 135888514
N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135767361
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135972244
4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide
CID 135939873
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
CID 79194533
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448
N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570381
4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 137285634
5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide
CID 103601676

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 135877243) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is Cc1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is INFYCNDJSYAGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-14-11-12-15(13-18(14)30(28,29)25(2)3)22-20(26)10-6-9-19-23-17-8-5-4-7-16(17)21(27)24-19/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,22,26)(H,23,24,27).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 428.51 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135877243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).