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

C21H32N4O5S — CID 46257551

IUPAC3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide
SMILESCC(C)CN(CC(C)C)C(=O)CCNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H32N4O5S/c1-14(2)12-25(13-15(3)4)19(26)9-10-22-31(29,30)16-7-8-18-17(11-16)20(27)24(6)21(28)23(18)5/h7-8,11,14-15,22H,9-10,12-13H2,1-6H3
InChIKeyNAMKCZOYDKHCJU-UHFFFAOYSA-N
MW452.58 g/mol
LogP1.05
Rot. Bonds9

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

3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide (PubChem CID 46257551) has the molecular formula C21H32N4O5S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide
PubChem CID46257551
Molecular FormulaC21H32N4O5S
Molecular Weight452.58 g/mol
Exact Mass452.21
IUPAC Name3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide
SMILESCC(C)CN(CC(C)C)C(=O)CCNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H32N4O5S/c1-14(2)12-25(13-15(3)4)19(26)9-10-22-31(29,30)16-7-8-18-17(11-16)20(27)24(6)21(28)23(18)5/h7-8,11,14-15,22H,9-10,12-13H2,1-6H3
InChIKeyNAMKCZOYDKHCJU-UHFFFAOYSA-N
XLogP1.05
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide
CID 20865947
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid
CID 46786417
N-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide
CID 53298133
(2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid
CID 51983971
1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonic acid
CID 22642050
3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 46257550
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-dipropylacetamide
CID 20865921
1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
CID 3158003
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide
CID 20865889
N-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 3328350
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 20865972
N-butyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 49453627

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide?
The IUPAC name of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide (CID 46257551) is 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide?
The canonical SMILES for 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide is CC(C)CN(CC(C)C)C(=O)CCNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide?
The InChIKey is NAMKCZOYDKHCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O5S/c1-14(2)12-25(13-15(3)4)19(26)9-10-22-31(29,30)16-7-8-18-17(11-16)20(27)24(6)21(28)23(18)5/h7-8,11,14-15,22H,9-10,12-13H2,1-6H3.
What are the key properties of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide?
3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide has a molecular weight of 452.58 g/mol, XLogP of 1.05, 9 rotatable bonds, 1 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,N-bis(2-methylpropyl)propanamide is sourced from PubChem (CID 46257551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).