N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

C25H28N2O3S — CID 26087240

IUPACN-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C25H28N2O3S/c1-18(2)19-10-12-22(13-11-19)31(29,30)27-16-14-21(15-17-27)25(28)26-24-9-5-7-20-6-3-4-8-23(20)24/h3-13,18,21H,14-17H2,1-2H3,(H,26,28)
InChIKeyUGEWPBXTDWEBDN-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.00
Rot. Bonds5

About N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26087240) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26087240
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C25H28N2O3S/c1-18(2)19-10-12-22(13-11-19)31(29,30)27-16-14-21(15-17-27)25(28)26-24-9-5-7-20-6-3-4-8-23(20)24/h3-13,18,21H,14-17H2,1-2H3,(H,26,28)
InChIKeyUGEWPBXTDWEBDN-UHFFFAOYSA-N
XLogP5.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55613261
N-(2,3-dimethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915055
1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123137
N-[2-(2-methylpropylcarbamoyl)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 34727869
1-(4-methoxyphenyl)sulfonyl-N-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 73401614
N-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26115362
N-(2-ethyl-6-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 40633565
N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26736509
1-(2-fluorophenyl)sulfonyl-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 26688330
(3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 1078452
N-(2-chlorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26574910
N-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26410598

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (CID 26087240) is N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is UGEWPBXTDWEBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-18(2)19-10-12-22(13-11-19)31(29,30)27-16-14-21(15-17-27)25(28)26-24-9-5-7-20-6-3-4-8-23(20)24/h3-13,18,21H,14-17H2,1-2H3,(H,26,28).
What are the key properties of N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 5.00, 5 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-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26087240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).