1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide

C28H33N3O5S2 — CID 43874904

IUPAC1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C28H33N3O5S2/c32-28(29-21-22-8-11-26(12-9-22)37(33,34)30-16-4-1-5-17-30)24-14-18-31(19-15-24)38(35,36)27-13-10-23-6-2-3-7-25(23)20-27/h2-3,6-13,20,24H,1,4-5,14-19,21H2,(H,29,32)
InChIKeyDLRQDWCKWKQSGF-UHFFFAOYSA-N
MW555.72 g/mol
LogP3.73
Rot. Bonds7

About 1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide

1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 43874904) has the molecular formula C28H33N3O5S2 and a molecular weight of 555.72 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
PubChem CID43874904
Molecular FormulaC28H33N3O5S2
Molecular Weight555.72 g/mol
Exact Mass555.19
IUPAC Name1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C28H33N3O5S2/c32-28(29-21-22-8-11-26(12-9-22)37(33,34)30-16-4-1-5-17-30)24-14-18-31(19-15-24)38(35,36)27-13-10-23-6-2-3-7-25(23)20-27/h2-3,6-13,20,24H,1,4-5,14-19,21H2,(H,29,32)
InChIKeyDLRQDWCKWKQSGF-UHFFFAOYSA-N
XLogP3.73
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.72
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
N-[2-(benzylamino)-2-oxoethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 39821890
(3R)-1-naphthalen-2-ylsulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 28562145
N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 3911093
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 55669596
1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 27741102
1-naphthalen-2-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 2985293
N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 94042960
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114
N-[[2-(diethylaminomethyl)phenyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 41438993
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26560022
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 28561956

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide (CID 43874904) is 1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is DLRQDWCKWKQSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5S2/c32-28(29-21-22-8-11-26(12-9-22)37(33,34)30-16-4-1-5-17-30)24-14-18-31(19-15-24)38(35,36)27-13-10-23-6-2-3-7-25(23)20-27/h2-3,6-13,20,24H,1,4-5,14-19,21H2,(H,29,32).
What are the key properties of 1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide?
1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 555.72 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43874904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).