N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide

C25H37N5O6S — CID 24687685

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)c(=O)[nH]c1=O
InChIInChI=1S/C25H37N5O6S/c1-6-7-11-29-22(26)21(23(31)27-25(29)33)30(13-16(2)3)24(32)19-9-8-10-20(12-19)37(34,35)28-14-17(4)36-18(5)15-28/h8-10,12,16-18H,6-7,11,13-15,26H2,1-5H3,(H,27,31,33)
InChIKeyBHBWMYALYVIUOM-UHFFFAOYSA-N
MW535.67 g/mol
LogP2.02
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide (PubChem CID 24687685) has the molecular formula C25H37N5O6S and a molecular weight of 535.67 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide
PubChem CID24687685
Molecular FormulaC25H37N5O6S
Molecular Weight535.67 g/mol
Exact Mass535.25
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)c(=O)[nH]c1=O
InChIInChI=1S/C25H37N5O6S/c1-6-7-11-29-22(26)21(23(31)27-25(29)33)30(13-16(2)3)24(32)19-9-8-10-20(12-19)37(34,35)28-14-17(4)36-18(5)15-28/h8-10,12,16-18H,6-7,11,13-15,26H2,1-5H3,(H,27,31,33)
InChIKeyBHBWMYALYVIUOM-UHFFFAOYSA-N
XLogP2.02
TPSA147.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.67
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-methylpropyl)benzamide
CID 30826009
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide
CID 24686904
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 24980898
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4848554
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55623702
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 16550098
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-bromo-N-ethylbenzamide
CID 7925744
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 16550078
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-chlorophenyl)-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 55882538
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide
CID 60596722

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide (CID 24687685) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide is CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide?
The InChIKey is BHBWMYALYVIUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O6S/c1-6-7-11-29-22(26)21(23(31)27-25(29)33)30(13-16(2)3)24(32)19-9-8-10-20(12-19)37(34,35)28-14-17(4)36-18(5)15-28/h8-10,12,16-18H,6-7,11,13-15,26H2,1-5H3,(H,27,31,33).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide has a molecular weight of 535.67 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 24687685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).