N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide

C20H24ClN5O4S — CID 42854006

IUPACN-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide
SMILESCC(C)C(=O)Nc1nccnc1C(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24ClN5O4S/c1-13(2)19(27)25-18-17(22-9-10-23-18)20(28)24-15-7-11-26(12-8-15)31(29,30)16-5-3-14(21)4-6-16/h3-6,9-10,13,15H,7-8,11-12H2,1-2H3,(H,24,28)(H,23,25,27)
InChIKeyXLJODYOMPGEPRF-UHFFFAOYSA-N
MW465.96 g/mol
LogP2.31
Rot. Bonds6

About N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide

N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide (PubChem CID 42854006) has the molecular formula C20H24ClN5O4S and a molecular weight of 465.96 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide
PubChem CID42854006
Molecular FormulaC20H24ClN5O4S
Molecular Weight465.96 g/mol
Exact Mass465.12
IUPAC NameN-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide
SMILESCC(C)C(=O)Nc1nccnc1C(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24ClN5O4S/c1-13(2)19(27)25-18-17(22-9-10-23-18)20(28)24-15-7-11-26(12-8-15)31(29,30)16-5-3-14(21)4-6-16/h3-6,9-10,13,15H,7-8,11-12H2,1-2H3,(H,24,28)(H,23,25,27)
InChIKeyXLJODYOMPGEPRF-UHFFFAOYSA-N
XLogP2.31
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560401
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide
CID 1477706
1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea
CID 3562031
3,4,5,6-tetrachloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
CID 24652720
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide
CID 108561561
2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide
CID 24822202
[3-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbamoyl]phenyl] acetate
CID 108559052
3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide
CID 42866734
1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea
CID 3339972
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylacetamide
CID 46294933

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide (CID 42854006) is N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide is CC(C)C(=O)Nc1nccnc1C(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide?
The InChIKey is XLJODYOMPGEPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O4S/c1-13(2)19(27)25-18-17(22-9-10-23-18)20(28)24-15-7-11-26(12-8-15)31(29,30)16-5-3-14(21)4-6-16/h3-6,9-10,13,15H,7-8,11-12H2,1-2H3,(H,24,28)(H,23,25,27).
What are the key properties of N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide?
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide has a molecular weight of 465.96 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 42854006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).