N-naphthalen-2-yl-N-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide

C26H31N3O3S — CID 177372002

IUPACN-naphthalen-2-yl-N-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccc2ccccc2c1)C1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C26H31N3O3S/c1-2-26(30)29(24-10-9-21-5-3-4-6-22(21)19-24)23-14-17-28(18-15-23)16-13-20-7-11-25(12-8-20)33(27,31)32/h3-12,19,23H,2,13-18H2,1H3,(H2,27,31,32)
InChIKeyNRQJYHJWUHJYHG-UHFFFAOYSA-N
MW465.62 g/mol
LogP3.94
Rot. Bonds7

About N-naphthalen-2-yl-N-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide

N-naphthalen-2-yl-N-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide (PubChem CID 177372002) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide
PubChem CID177372002
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC NameN-naphthalen-2-yl-N-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccc2ccccc2c1)C1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C26H31N3O3S/c1-2-26(30)29(24-10-9-21-5-3-4-6-22(21)19-24)23-14-17-28(18-15-23)16-13-20-7-11-25(12-8-20)33(27,31)32/h3-12,19,23H,2,13-18H2,1H3,(H2,27,31,32)
InChIKeyNRQJYHJWUHJYHG-UHFFFAOYSA-N
XLogP3.94
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide?
The IUPAC name of N-naphthalen-2-yl-N-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide (CID 177372002) is N-naphthalen-2-yl-N-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-naphthalen-2-yl-N-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-naphthalen-2-yl-N-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide is CCC(=O)N(c1ccc2ccccc2c1)C1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of N-naphthalen-2-yl-N-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide?
The InChIKey is NRQJYHJWUHJYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-2-26(30)29(24-10-9-21-5-3-4-6-22(21)19-24)23-14-17-28(18-15-23)16-13-20-7-11-25(12-8-20)33(27,31)32/h3-12,19,23H,2,13-18H2,1H3,(H2,27,31,32).
What are the key properties of N-naphthalen-2-yl-N-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide?
N-naphthalen-2-yl-N-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide has a molecular weight of 465.62 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 177372002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).