N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C25H34N2O4S — CID 55588225

IUPACN-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC2)c(C)c1
InChIInChI=1S/C25H34N2O4S/c1-17(2)31-23-8-6-21(7-9-23)16-26-25(28)22-10-12-27(13-11-22)32(29,30)24-19(4)14-18(3)15-20(24)5/h6-9,14-15,17,22H,10-13,16H2,1-5H3,(H,26,28)
InChIKeyMLEJWMPAVMOAJS-UHFFFAOYSA-N
MW458.62 g/mol
LogP4.12
Rot. Bonds7

About N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55588225) has the molecular formula C25H34N2O4S and a molecular weight of 458.62 g/mol. Its IUPAC name is N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55588225
Molecular FormulaC25H34N2O4S
Molecular Weight458.62 g/mol
Exact Mass458.22
IUPAC NameN-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC2)c(C)c1
InChIInChI=1S/C25H34N2O4S/c1-17(2)31-23-8-6-21(7-9-23)16-26-25(28)22-10-12-27(13-11-22)32(29,30)24-19(4)14-18(3)15-20(24)5/h6-9,14-15,17,22H,10-13,16H2,1-5H3,(H,26,28)
InChIKeyMLEJWMPAVMOAJS-UHFFFAOYSA-N
XLogP4.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.62
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 28561956
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 53283326
1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 94108023
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119280596
N-(pyridin-2-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27554188
N-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 44591915
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24676669
N-[3-oxo-3-(propan-2-ylamino)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55599753
N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 4215035
N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 1090427
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281743
N-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26443164

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 55588225) is N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC2)c(C)c1.
What is the InChIKey of N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MLEJWMPAVMOAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4S/c1-17(2)31-23-8-6-21(7-9-23)16-26-25(28)22-10-12-27(13-11-22)32(29,30)24-19(4)14-18(3)15-20(24)5/h6-9,14-15,17,22H,10-13,16H2,1-5H3,(H,26,28).
What are the key properties of N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 458.62 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55588225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).