N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]naphthalene-2-carboxamide

C22H24N4O3S — CID 25285129

IUPACN-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]naphthalene-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N4O3S/c27-22(20-9-8-18-5-1-2-6-19(18)17-20)24-11-16-30(28,29)26-14-12-25(13-15-26)21-7-3-4-10-23-21/h1-10,17H,11-16H2,(H,24,27)
InChIKeyLZRWZSFNCUDRNX-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.12
Rot. Bonds6

About N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]naphthalene-2-carboxamide

N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]naphthalene-2-carboxamide (PubChem CID 25285129) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]naphthalene-2-carboxamide
PubChem CID25285129
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]naphthalene-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N4O3S/c27-22(20-9-8-18-5-1-2-6-19(18)17-20)24-11-16-30(28,29)26-14-12-25(13-15-26)21-7-3-4-10-23-21/h1-10,17H,11-16H2,(H,24,27)
InChIKeyLZRWZSFNCUDRNX-UHFFFAOYSA-N
XLogP2.12
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]naphthalene-2-carboxamide (CID 25285129) is N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]naphthalene-2-carboxamide is O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]naphthalene-2-carboxamide?
The InChIKey is LZRWZSFNCUDRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c27-22(20-9-8-18-5-1-2-6-19(18)17-20)24-11-16-30(28,29)26-14-12-25(13-15-26)21-7-3-4-10-23-21/h1-10,17H,11-16H2,(H,24,27).
What are the key properties of N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]naphthalene-2-carboxamide?
N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]naphthalene-2-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 25285129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).