N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C24H35N5O6S — CID 24686710

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C24H35N5O6S/c1-4-5-12-29-21(25)20(22(30)26-24(29)32)28(15-16-35-3)23(31)18-10-13-27(14-11-18)36(33,34)19-8-6-17(2)7-9-19/h6-9,18H,4-5,10-16,25H2,1-3H3,(H,26,30,32)
InChIKeyIVHJOGLXSHGXBK-UHFFFAOYSA-N
MW521.64 g/mol
LogP1.31
Rot. Bonds10

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 24686710) has the molecular formula C24H35N5O6S and a molecular weight of 521.64 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID24686710
Molecular FormulaC24H35N5O6S
Molecular Weight521.64 g/mol
Exact Mass521.23
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C24H35N5O6S/c1-4-5-12-29-21(25)20(22(30)26-24(29)32)28(15-16-35-3)23(31)18-10-13-27(14-11-18)36(33,34)19-8-6-17(2)7-9-19/h6-9,18H,4-5,10-16,25H2,1-3H3,(H,26,30,32)
InChIKeyIVHJOGLXSHGXBK-UHFFFAOYSA-N
XLogP1.31
TPSA147.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.64
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-morpholin-4-ylsulfonylbenzamide
CID 4841383
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(2,4-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 24686778
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 24687169
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 24687492
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 24687493
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 24687930
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-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 24980589
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 4832805
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 4840659
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide
CID 16258352
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 16550621

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 24686710) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is CCCCn1c(N)c(N(CCOC)C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is IVHJOGLXSHGXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O6S/c1-4-5-12-29-21(25)20(22(30)26-24(29)32)28(15-16-35-3)23(31)18-10-13-27(14-11-18)36(33,34)19-8-6-17(2)7-9-19/h6-9,18H,4-5,10-16,25H2,1-3H3,(H,26,30,32).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 521.64 g/mol, XLogP of 1.31, 10 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)-N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 24686710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).