2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide

C23H25N5O3S2 — CID 55692390

IUPAC2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C23H25N5O3S2/c29-22(20-9-6-12-26-23(20)32-19-7-2-1-3-8-19)25-13-18-33(30,31)28-16-14-27(15-17-28)21-10-4-5-11-24-21/h1-12H,13-18H2,(H,25,29)
InChIKeyIVZDUXKRAWMLCH-UHFFFAOYSA-N
MW483.62 g/mol
LogP2.51
Rot. Bonds8

About 2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide

2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide (PubChem CID 55692390) has the molecular formula C23H25N5O3S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide
PubChem CID55692390
Molecular FormulaC23H25N5O3S2
Molecular Weight483.62 g/mol
Exact Mass483.14
IUPAC Name2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C23H25N5O3S2/c29-22(20-9-6-12-26-23(20)32-19-7-2-1-3-8-19)25-13-18-33(30,31)28-16-14-27(15-17-28)21-10-4-5-11-24-21/h1-12H,13-18H2,(H,25,29)
InChIKeyIVZDUXKRAWMLCH-UHFFFAOYSA-N
XLogP2.51
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(pyridin-2-ylmethylsulfanyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55822727
2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439001
2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
CID 55692362
4-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 47031694
1-oxido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-1-ium-2-carboxamide
CID 60512015
2-(2-chlorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 25285260
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]furan-2-carboxamide
CID 55692437
3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide
CID 55963186
2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439032
2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438465
1,3,6-trimethyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55692200
4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
CID 46455798

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide?
The IUPAC name of 2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide (CID 55692390) is 2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide is O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cccnc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide?
The InChIKey is IVZDUXKRAWMLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S2/c29-22(20-9-6-12-26-23(20)32-19-7-2-1-3-8-19)25-13-18-33(30,31)28-16-14-27(15-17-28)21-10-4-5-11-24-21/h1-12H,13-18H2,(H,25,29).
What are the key properties of 2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide?
2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 55692390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).