N-(1-methoxypropan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

C20H26N2O4S — CID 6463032

IUPACN-(1-methoxypropan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H26N2O4S/c1-15(14-26-2)21-20(23)17-9-11-22(12-10-17)27(24,25)19-8-7-16-5-3-4-6-18(16)13-19/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyZEVVUNDXFWCYJU-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.39
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

N-(1-methoxypropan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 6463032) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID6463032
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(1-methoxypropan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H26N2O4S/c1-15(14-26-2)21-20(23)17-9-11-22(12-10-17)27(24,25)19-8-7-16-5-3-4-6-18(16)13-19/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyZEVVUNDXFWCYJU-UHFFFAOYSA-N
XLogP2.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (CID 6463032) is N-(1-methoxypropan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is COCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZEVVUNDXFWCYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15(14-26-2)21-20(23)17-9-11-22(12-10-17)27(24,25)19-8-7-16-5-3-4-6-18(16)13-19/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,21,23).
What are the key properties of N-(1-methoxypropan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
N-(1-methoxypropan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 6463032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).