N-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide

C23H24N4O4S — CID 55614190

IUPACN-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24N4O4S/c28-22(9-11-25-23(29)20-8-7-18-4-1-2-5-19(18)16-20)26-12-14-27(15-13-26)32(30,31)21-6-3-10-24-17-21/h1-8,10,16-17H,9,11-15H2,(H,25,29)
InChIKeyRYTHJMXTKBIXKU-UHFFFAOYSA-N
MW452.54 g/mol
LogP1.89
Rot. Bonds6

About N-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide

N-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide (PubChem CID 55614190) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
PubChem CID55614190
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24N4O4S/c28-22(9-11-25-23(29)20-8-7-18-4-1-2-5-19(18)16-20)26-12-14-27(15-13-26)32(30,31)21-6-3-10-24-17-21/h1-8,10,16-17H,9,11-15H2,(H,25,29)
InChIKeyRYTHJMXTKBIXKU-UHFFFAOYSA-N
XLogP1.89
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-oxopropyl]carbamate
CID 55644361
N-[3-[4-(3-methylbutyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 55847751
N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 28709234
N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
CID 16573386
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 27510115
4-chloro-N-[3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide
CID 17427990
N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 55660916
N-(2-phenylsulfanylethyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 34704038
N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
CID 24543794
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119546157
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide
CID 31882746
2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 55638612

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide (CID 55614190) is N-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide is O=C(NCCC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide?
The InChIKey is RYTHJMXTKBIXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c28-22(9-11-25-23(29)20-8-7-18-4-1-2-5-19(18)16-20)26-12-14-27(15-13-26)32(30,31)21-6-3-10-24-17-21/h1-8,10,16-17H,9,11-15H2,(H,25,29).
What are the key properties of N-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide?
N-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55614190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).