N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C25H37N5O5S — CID 16550098

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCCCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C25H37N5O5S/c1-4-6-14-29(21-22(26)30(15-7-5-2)25(33)27-23(21)31)24(32)19-8-10-20(11-9-19)36(34,35)28-16-12-18(3)13-17-28/h8-11,18H,4-7,12-17,26H2,1-3H3,(H,27,31,33)
InChIKeyBUNTUYBVCITPFH-UHFFFAOYSA-N
MW519.67 g/mol
LogP2.79
Rot. Bonds10

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 16550098) has the molecular formula C25H37N5O5S and a molecular weight of 519.67 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID16550098
Molecular FormulaC25H37N5O5S
Molecular Weight519.67 g/mol
Exact Mass519.25
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCCCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C25H37N5O5S/c1-4-6-14-29(21-22(26)30(15-7-5-2)25(33)27-23(21)31)24(32)19-8-10-20(11-9-19)36(34,35)28-16-12-18(3)13-17-28/h8-11,18H,4-7,12-17,26H2,1-3H3,(H,27,31,33)
InChIKeyBUNTUYBVCITPFH-UHFFFAOYSA-N
XLogP2.79
TPSA138.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.67
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-4-(propan-2-ylsulfamoyl)benzamide
CID 16593377
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-3,4-difluorobenzamide
CID 30434613
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 26196304
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(propan-2-ylsulfamoyl)-N-propylbenzamide
CID 16594295
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 16550078
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25162791
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 24819759
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)-N-butyl-4-(cyclopropylamino)-3-nitrobenzamide
CID 25102359
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 16550098) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is CCCCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is BUNTUYBVCITPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O5S/c1-4-6-14-29(21-22(26)30(15-7-5-2)25(33)27-23(21)31)24(32)19-8-10-20(11-9-19)36(34,35)28-16-12-18(3)13-17-28/h8-11,18H,4-7,12-17,26H2,1-3H3,(H,27,31,33).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 519.67 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 16550098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).