2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide

C21H32N4O5S — CID 20865947

IUPAC2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H32N4O5S/c1-14(2)11-25(12-15(3)4)19(26)13-22(5)31(29,30)16-8-9-18-17(10-16)20(27)24(7)21(28)23(18)6/h8-10,14-15H,11-13H2,1-7H3
InChIKeyUIKZVTGHMXSPTD-UHFFFAOYSA-N
MW452.58 g/mol
LogP1.00
Rot. Bonds8

About 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 20865947) has the molecular formula C21H32N4O5S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide
PubChem CID20865947
Molecular FormulaC21H32N4O5S
Molecular Weight452.58 g/mol
Exact Mass452.21
IUPAC Name2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H32N4O5S/c1-14(2)11-25(12-15(3)4)19(26)13-22(5)31(29,30)16-8-9-18-17(10-16)20(27)24(7)21(28)23(18)6/h8-10,14-15H,11-13H2,1-7H3
InChIKeyUIKZVTGHMXSPTD-UHFFFAOYSA-N
XLogP1.00
TPSA101.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-dipropylacetamide
CID 20865921
3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide
CID 46257551
N-cyclooctyl-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]acetamide
CID 20865917
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 20865972
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 20865951
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 20865952
1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonic acid
CID 22642050
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N,N-bis(2-methylpropyl)acetamide
CID 20862469
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 20865946
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 46256226
N-(4-chloro-1,1-dioxothiolan-3-yl)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]acetamide
CID 53298120
N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 20865905

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide (CID 20865947) is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is UIKZVTGHMXSPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O5S/c1-14(2)11-25(12-15(3)4)19(26)13-22(5)31(29,30)16-8-9-18-17(10-16)20(27)24(7)21(28)23(18)6/h8-10,14-15H,11-13H2,1-7H3.
What are the key properties of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide?
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 452.58 g/mol, XLogP of 1.00, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 20865947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).