3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide

C21H24N4O5S — CID 3238835

IUPAC3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C21H24N4O5S/c1-14-4-6-15(7-5-14)13-22-19(26)10-11-23-31(29,30)16-8-9-18-17(12-16)20(27)25(3)21(28)24(18)2/h4-9,12,23H,10-11,13H2,1-3H3,(H,22,26)
InChIKeyNZATZZGINMWOIA-UHFFFAOYSA-N
MW444.51 g/mol
LogP0.53
Rot. Bonds7

About 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide

3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 3238835) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID3238835
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C21H24N4O5S/c1-14-4-6-15(7-5-14)13-22-19(26)10-11-23-31(29,30)16-8-9-18-17(12-16)20(27)25(3)21(28)24(18)2/h4-9,12,23H,10-11,13H2,1-3H3,(H,22,26)
InChIKeyNZATZZGINMWOIA-UHFFFAOYSA-N
XLogP0.53
TPSA119.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide with MolForge

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Related Compounds

Metolazone
CID 4170
Fenquizone
CID 68548
4-[2-(6-fluoro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide
CID 5155717
4-[4-(2-Methyl-benzoylamino)-naphthalene-1-sulfonylamino]-piperidine-1-carboxylic acid methylamide
CID 11754900
N-(2-Benzoyl-phenyl)-4-[3-(3-piperidin-1-yl-propyl)-ureido]-benzenesulfonamide
CID 24895452
(2R)-7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamide
CID 6604352
Otaplimastat
CID 44229378
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
N-[2-(cyclohexen-1-yl)ethyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 5307635
1-benzyl-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398822
4-[2-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)ethyl]benzene-1-sulfonamide
CID 2470552
N-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-N,1,3-trimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-quinazolinesulfonamide
CID 5307760

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide (CID 3238835) is 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is NZATZZGINMWOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-14-4-6-15(7-5-14)13-22-19(26)10-11-23-31(29,30)16-8-9-18-17(12-16)20(27)25(3)21(28)24(18)2/h4-9,12,23H,10-11,13H2,1-3H3,(H,22,26).
What are the key properties of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 444.51 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 3238835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).