3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide

C24H22N4O5S — CID 167974850

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H22N4O5S/c1-16-6-2-5-9-21(16)34(32,33)27-18-12-10-17(11-13-18)25-22(29)14-15-28-20-8-4-3-7-19(20)23(30)26-24(28)31/h2-13,27H,14-15H2,1H3,(H,25,29)(H,26,30,31)
InChIKeyVDAIKCXDQQRCNK-UHFFFAOYSA-N
MW478.53 g/mol
LogP2.83
Rot. Bonds7

About 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide (PubChem CID 167974850) has the molecular formula C24H22N4O5S and a molecular weight of 478.53 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide
PubChem CID167974850
Molecular FormulaC24H22N4O5S
Molecular Weight478.53 g/mol
Exact Mass478.13
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H22N4O5S/c1-16-6-2-5-9-21(16)34(32,33)27-18-12-10-17(11-13-18)25-22(29)14-15-28-20-8-4-3-7-19(20)23(30)26-24(28)31/h2-13,27H,14-15H2,1H3,(H,25,29)(H,26,30,31)
InChIKeyVDAIKCXDQQRCNK-UHFFFAOYSA-N
XLogP2.83
TPSA130.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide 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

3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide
CID 166328544
3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 166189122
3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
CID 17452721
4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide
CID 25485041
N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 30296173
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 17464541
N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 60602373
3-(2,4-dioxoquinazolin-1-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide
CID 24598058
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 119439698
3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 26006226
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide (CID 167974850) is 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide is Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide?
The InChIKey is VDAIKCXDQQRCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5S/c1-16-6-2-5-9-21(16)34(32,33)27-18-12-10-17(11-13-18)25-22(29)14-15-28-20-8-4-3-7-19(20)23(30)26-24(28)31/h2-13,27H,14-15H2,1H3,(H,25,29)(H,26,30,31).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide has a molecular weight of 478.53 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 167974850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).