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

C24H25ClN2O3S — CID 26071216

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-17(18-6-9-22(25)10-7-18)26-24(28)20-12-14-27(15-13-20)31(29,30)23-11-8-19-4-2-3-5-21(19)16-23/h2-11,16-17,20H,12-15H2,1H3,(H,26,28)/t17-/m0/s1
InChIKeyNEIXIJZXMVMJRT-KRWDZBQOSA-N
MW457.00 g/mol
LogP4.77
Rot. Bonds5

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

N-[(1S)-1-(4-chlorophenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 26071216) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID26071216
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-17(18-6-9-22(25)10-7-18)26-24(28)20-12-14-27(15-13-20)31(29,30)23-11-8-19-4-2-3-5-21(19)16-23/h2-11,16-17,20H,12-15H2,1H3,(H,26,28)/t17-/m0/s1
InChIKeyNEIXIJZXMVMJRT-KRWDZBQOSA-N
XLogP4.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonyl-N-(1-naphthalen-2-ylethyl)piperidine-4-carboxamide
CID 17496741
N-[1-(4-chlorophenyl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55336180
1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 28572355
N-(3-methylbutan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 43001842
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 41139085
(3R)-1-naphthalen-2-ylsulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40591179
(3S)-1-naphthalen-2-ylsulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40591181
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1S)-1-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 28551652
1-(benzenesulfonyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 26957904
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 27782107
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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (CID 26071216) is N-[(1S)-1-(4-chlorophenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is NEIXIJZXMVMJRT-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-17(18-6-9-22(25)10-7-18)26-24(28)20-12-14-27(15-13-20)31(29,30)23-11-8-19-4-2-3-5-21(19)16-23/h2-11,16-17,20H,12-15H2,1H3,(H,26,28)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 457.00 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26071216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).