N-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C25H28N2O3S — CID 21372918

IUPACN-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc4ccccc34)CC2)c(C)c1
InChIInChI=1S/C25H28N2O3S/c1-17-15-18(2)24(19(3)16-17)31(29,30)27-13-11-21(12-14-27)25(28)26-23-10-6-8-20-7-4-5-9-22(20)23/h4-10,15-16,21H,11-14H2,1-3H3,(H,26,28)
InChIKeyMQACUZOKJMWVDH-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.80
Rot. Bonds4

About N-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 21372918) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID21372918
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc4ccccc34)CC2)c(C)c1
InChIInChI=1S/C25H28N2O3S/c1-17-15-18(2)24(19(3)16-17)31(29,30)27-13-11-21(12-14-27)25(28)26-23-10-6-8-20-7-4-5-9-22(20)23/h4-10,15-16,21H,11-14H2,1-3H3,(H,26,28)
InChIKeyMQACUZOKJMWVDH-UHFFFAOYSA-N
XLogP4.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 21372918) is N-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc4ccccc34)CC2)c(C)c1.
What is the InChIKey of N-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MQACUZOKJMWVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-17-15-18(2)24(19(3)16-17)31(29,30)27-13-11-21(12-14-27)25(28)26-23-10-6-8-20-7-4-5-9-22(20)23/h4-10,15-16,21H,11-14H2,1-3H3,(H,26,28).
What are the key properties of N-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 21372918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).