N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide

C21H28ClN5O5S — CID 26196304

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCCCCn1c(N)c(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H28ClN5O5S/c1-3-4-11-27-18(23)17(19(28)24-21(27)30)25(2)20(29)14-9-12-26(13-10-14)33(31,32)16-7-5-15(22)6-8-16/h5-8,14H,3-4,9-13,23H2,1-2H3,(H,24,28,30)
InChIKeyHBJUVQNTGFWMDX-UHFFFAOYSA-N
MW498.01 g/mol
LogP1.64
Rot. Bonds7

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 26196304) has the molecular formula C21H28ClN5O5S and a molecular weight of 498.01 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID26196304
Molecular FormulaC21H28ClN5O5S
Molecular Weight498.01 g/mol
Exact Mass497.15
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCCCCn1c(N)c(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H28ClN5O5S/c1-3-4-11-27-18(23)17(19(28)24-21(27)30)25(2)20(29)14-9-12-26(13-10-14)33(31,32)16-7-5-15(22)6-8-16/h5-8,14H,3-4,9-13,23H2,1-2H3,(H,24,28,30)
InChIKeyHBJUVQNTGFWMDX-UHFFFAOYSA-N
XLogP1.64
TPSA138.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.01
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide with MolForge

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Related Compounds

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-butylsulfonyl-N-ethylpiperidine-4-carboxamide
CID 55770380
N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 16550098
(3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 25363761
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentylcyclopentanecarboxamide
CID 8838842
N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 55661720
1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 27740023
6-amino-1-butyl-5-[[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methylamino]pyrimidine-2,4-dione
CID 55500133
1-(4-chlorophenyl)sulfonyl-N-cyclopentyl-N-ethylpiperidine-4-carboxamide
CID 134060795
(3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8918138
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide (CID 26196304) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide is CCCCn1c(N)c(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is HBJUVQNTGFWMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5O5S/c1-3-4-11-27-18(23)17(19(28)24-21(27)30)25(2)20(29)14-9-12-26(13-10-14)33(31,32)16-7-5-15(22)6-8-16/h5-8,14H,3-4,9-13,23H2,1-2H3,(H,24,28,30).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 498.01 g/mol, XLogP of 1.64, 7 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)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 26196304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).