N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide

C23H32FN5O6S — CID 24686904

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(=O)[nH]c1=O
InChIInChI=1S/C23H32FN5O6S/c1-4-5-8-28-20(25)19(21(30)26-23(28)32)29(14-15(2)3)22(31)16-6-7-17(24)18(13-16)36(33,34)27-9-11-35-12-10-27/h6-7,13,15H,4-5,8-12,14,25H2,1-3H3,(H,26,30,32)
InChIKeyVPCOAMUZYOVUBM-UHFFFAOYSA-N
MW525.60 g/mol
LogP1.38
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 24686904) has the molecular formula C23H32FN5O6S and a molecular weight of 525.60 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID24686904
Molecular FormulaC23H32FN5O6S
Molecular Weight525.60 g/mol
Exact Mass525.21
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(=O)[nH]c1=O
InChIInChI=1S/C23H32FN5O6S/c1-4-5-8-28-20(25)19(21(30)26-23(28)32)29(14-15(2)3)22(31)16-6-7-17(24)18(13-16)36(33,34)27-9-11-35-12-10-27/h6-7,13,15H,4-5,8-12,14,25H2,1-3H3,(H,26,30,32)
InChIKeyVPCOAMUZYOVUBM-UHFFFAOYSA-N
XLogP1.38
TPSA147.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.60
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55339136
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)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 24687685
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 16550117
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,4-difluorobenzamide
CID 30434613
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 24980898
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 24819759
N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 18190315
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
6-amino-1-butyl-5-[[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methylamino]pyrimidine-2,4-dione
CID 55500133
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 16550098
4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide
CID 55589792

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide (CID 24686904) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide is CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is VPCOAMUZYOVUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN5O6S/c1-4-5-8-28-20(25)19(21(30)26-23(28)32)29(14-15(2)3)22(31)16-6-7-17(24)18(13-16)36(33,34)27-9-11-35-12-10-27/h6-7,13,15H,4-5,8-12,14,25H2,1-3H3,(H,26,30,32).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 525.60 g/mol, XLogP of 1.38, 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)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 24686904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).