N-[2-(dimethylamino)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

C20H27N3O3S — CID 6459433

IUPACN-[2-(dimethylamino)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H27N3O3S/c1-22(2)14-11-21-20(24)17-9-12-23(13-10-17)27(25,26)19-8-7-16-5-3-4-6-18(16)15-19/h3-8,15,17H,9-14H2,1-2H3,(H,21,24)
InChIKeyJLFMWKBFBCYAAB-UHFFFAOYSA-N
MW389.52 g/mol
LogP1.92
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 6459433) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID6459433
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[2-(dimethylamino)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H27N3O3S/c1-22(2)14-11-21-20(24)17-9-12-23(13-10-17)27(25,26)19-8-7-16-5-3-4-6-18(16)15-19/h3-8,15,17H,9-14H2,1-2H3,(H,21,24)
InChIKeyJLFMWKBFBCYAAB-UHFFFAOYSA-N
XLogP1.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (CID 6459433) is N-[2-(dimethylamino)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is CN(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is JLFMWKBFBCYAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-22(2)14-11-21-20(24)17-9-12-23(13-10-17)27(25,26)19-8-7-16-5-3-4-6-18(16)15-19/h3-8,15,17H,9-14H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 6459433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).