4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide

C23H27F3N2O4S — CID 51001411

IUPAC4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C)(C(=O)Nc3ccc(OC(C)C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C23H27F3N2O4S/c1-16-4-10-20(11-5-16)33(30,31)28-14-12-22(3,13-15-28)21(29)27-18-6-8-19(9-7-18)32-17(2)23(24,25)26/h4-11,17H,12-15H2,1-3H3,(H,27,29)
InChIKeyWUUBEPAXZXBFQL-UHFFFAOYSA-N
MW484.54 g/mol
LogP4.75
Rot. Bonds6

About 4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide

4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide (PubChem CID 51001411) has the molecular formula C23H27F3N2O4S and a molecular weight of 484.54 g/mol. Its IUPAC name is 4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide
PubChem CID51001411
Molecular FormulaC23H27F3N2O4S
Molecular Weight484.54 g/mol
Exact Mass484.16
IUPAC Name4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C)(C(=O)Nc3ccc(OC(C)C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C23H27F3N2O4S/c1-16-4-10-20(11-5-16)33(30,31)28-14-12-22(3,13-15-28)21(29)27-18-6-8-19(9-7-18)32-17(2)23(24,25)26/h4-11,17H,12-15H2,1-3H3,(H,27,29)
InChIKeyWUUBEPAXZXBFQL-UHFFFAOYSA-N
XLogP4.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 51001229
1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide
CID 70657784
2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2983188
1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 51001653
dipropan-2-yl 1-(4-methylphenyl)sulfonylpiperidine-4,4-dicarboxylate
CID 86811230
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 66921149
N-[4-(4-methylphenoxy)phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71903027
N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 133245841
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(4-methylphenoxy)butanamide
CID 4950124
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-propan-2-yloxybenzamide
CID 4951892
1-(4-methylphenyl)-3-[(3S)-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxyurea
CID 58235347

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide (CID 51001411) is 4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C)(C(=O)Nc3ccc(OC(C)C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide?
The InChIKey is WUUBEPAXZXBFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O4S/c1-16-4-10-20(11-5-16)33(30,31)28-14-12-22(3,13-15-28)21(29)27-18-6-8-19(9-7-18)32-17(2)23(24,25)26/h4-11,17H,12-15H2,1-3H3,(H,27,29).
What are the key properties of 4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide?
4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide has a molecular weight of 484.54 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 51001411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).