(2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide

C21H24N4O5S — CID 126418506

IUPAC(2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide
SMILESCN(C)S(=O)(=O)CCNC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H24N4O5S/c1-24(2)31(29,30)13-12-22-19(26)18(14-15-8-4-3-5-9-15)25-20(27)16-10-6-7-11-17(16)23-21(25)28/h3-11,18H,12-14H2,1-2H3,(H,22,26)(H,23,28)/t18-/m1/s1
InChIKeyZMXHMPLOWVIADY-GOSISDBHSA-N
MW444.51 g/mol
LogP0.48
Rot. Bonds8

About (2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide

(2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide (PubChem CID 126418506) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is (2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide
PubChem CID126418506
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name(2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide
SMILESCN(C)S(=O)(=O)CCNC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H24N4O5S/c1-24(2)31(29,30)13-12-22-19(26)18(14-15-8-4-3-5-9-15)25-20(27)16-10-6-7-11-17(16)23-21(25)28/h3-11,18H,12-14H2,1-2H3,(H,22,26)(H,23,28)/t18-/m1/s1
InChIKeyZMXHMPLOWVIADY-GOSISDBHSA-N
XLogP0.48
TPSA121.34 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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]propanoic acid
CID 6353140
(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide
CID 126417775
2-[[2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 163039236
(2S)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-methylbutanoate
CID 6573216
4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide
CID 125431438
tert-butyl (2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoate
CID 102000912
3-(acetamidomethylsulfanyl)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]propanoic acid
CID 4965963
2-[[2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid
CID 4838562
5-amino-2-[[2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 163086428
2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 171138526
5-amino-2-[[2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 4964759
(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoyl]amino]propanoic acid
CID 6851381

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide?
The IUPAC name of (2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide (CID 126418506) is (2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide?
The canonical SMILES for (2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide is CN(C)S(=O)(=O)CCNC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of (2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide?
The InChIKey is ZMXHMPLOWVIADY-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-24(2)31(29,30)13-12-22-19(26)18(14-15-8-4-3-5-9-15)25-20(27)16-10-6-7-11-17(16)23-21(25)28/h3-11,18H,12-14H2,1-2H3,(H,22,26)(H,23,28)/t18-/m1/s1.
What are the key properties of (2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide?
(2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide has a molecular weight of 444.51 g/mol, XLogP of 0.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 126418506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).