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

C20H26FN5O6S — CID 55339136

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCCCCn1c(N)c(N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C20H26FN5O6S/c1-3-4-7-26-17(22)16(18(27)23-20(26)29)24(2)19(28)14-12-13(5-6-15(14)21)33(30,31)25-8-10-32-11-9-25/h5-6,12H,3-4,7-11,22H2,1-2H3,(H,23,27,29)
InChIKeyQJIYQQHOMQCHJP-UHFFFAOYSA-N
MW483.52 g/mol
LogP0.36
Rot. Bonds7

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55339136) has the molecular formula C20H26FN5O6S and a molecular weight of 483.52 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55339136
Molecular FormulaC20H26FN5O6S
Molecular Weight483.52 g/mol
Exact Mass483.16
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCCCCn1c(N)c(N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C20H26FN5O6S/c1-3-4-7-26-17(22)16(18(27)23-20(26)29)24(2)19(28)14-12-13(5-6-15(14)21)33(30,31)25-8-10-32-11-9-25/h5-6,12H,3-4,7-11,22H2,1-2H3,(H,23,27,29)
InChIKeyQJIYQQHOMQCHJP-UHFFFAOYSA-N
XLogP0.36
TPSA147.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide
CID 55339298
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 26196304
N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 9336448
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)-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 55376996
N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 26893076
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 16550098
N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2458310
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)-N-methyl-4-(trifluoromethyl)benzamide
CID 8917928
[2-(ethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530482

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 55339136) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide is CCCCn1c(N)c(N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is QJIYQQHOMQCHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O6S/c1-3-4-7-26-17(22)16(18(27)23-20(26)29)24(2)19(28)14-12-13(5-6-15(14)21)33(30,31)25-8-10-32-11-9-25/h5-6,12H,3-4,7-11,22H2,1-2H3,(H,23,27,29).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 483.52 g/mol, XLogP of 0.36, 7 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)-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55339136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).