N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

C18H22N2O4S — CID 3911093

IUPACN-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCO)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H22N2O4S/c21-12-9-19-18(22)15-7-10-20(11-8-15)25(23,24)17-6-5-14-3-1-2-4-16(14)13-17/h1-6,13,15,21H,7-12H2,(H,19,22)
InChIKeyYKOCGIISSMLIFD-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.35
Rot. Bonds5

About N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3911093) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID3911093
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCO)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H22N2O4S/c21-12-9-19-18(22)15-7-10-20(11-8-15)25(23,24)17-6-5-14-3-1-2-4-16(14)13-17/h1-6,13,15,21H,7-12H2,(H,19,22)
InChIKeyYKOCGIISSMLIFD-UHFFFAOYSA-N
XLogP1.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 32645883
1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 27741102
1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874904
N-[2-(2-methoxyphenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26181194
N-[4-(4-fluorophenoxy)butyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 42572161
1-naphthalen-2-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 2985293
N-[2-(benzylamino)-2-oxoethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 39821890
N-(2-chlorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26574910
1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 46520815
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26560022
N-[[2-(diethylaminomethyl)phenyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 41438993
N-(3-methylbutan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 43001842

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (CID 3911093) is N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is O=C(NCCO)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is YKOCGIISSMLIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c21-12-9-19-18(22)15-7-10-20(11-8-15)25(23,24)17-6-5-14-3-1-2-4-16(14)13-17/h1-6,13,15,21H,7-12H2,(H,19,22).
What are the key properties of N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3911093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).