N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C20H27F3N2O4S — CID 42888072

IUPACN-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(F)(F)F)C(C)C3CC3)CC2)cc1
InChIInChI=1S/C20H27F3N2O4S/c1-14(15-3-4-15)25(13-20(21,22)23)19(26)16-9-11-24(12-10-16)30(27,28)18-7-5-17(29-2)6-8-18/h5-8,14-16H,3-4,9-13H2,1-2H3
InChIKeyIOJJPOYPVFTSQI-UHFFFAOYSA-N
MW448.51 g/mol
LogP3.29
Rot. Bonds7

About N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 42888072) has the molecular formula C20H27F3N2O4S and a molecular weight of 448.51 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID42888072
Molecular FormulaC20H27F3N2O4S
Molecular Weight448.51 g/mol
Exact Mass448.16
IUPAC NameN-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(F)(F)F)C(C)C3CC3)CC2)cc1
InChIInChI=1S/C20H27F3N2O4S/c1-14(15-3-4-15)25(13-20(21,22)23)19(26)16-9-11-24(12-10-16)30(27,28)18-7-5-17(29-2)6-8-18/h5-8,14-16H,3-4,9-13H2,1-2H3
InChIKeyIOJJPOYPVFTSQI-UHFFFAOYSA-N
XLogP3.29
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 55551073
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 100799208
2-methylpropyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557075
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
N-(2,2-dimethylpropyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100799217
1-(4-methoxyphenyl)sulfonyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 7248361
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 3230694
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100654629
N-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 119639873
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
N-[1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 133167682

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 42888072) is N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(F)(F)F)C(C)C3CC3)CC2)cc1.
What is the InChIKey of N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is IOJJPOYPVFTSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O4S/c1-14(15-3-4-15)25(13-20(21,22)23)19(26)16-9-11-24(12-10-16)30(27,28)18-7-5-17(29-2)6-8-18/h5-8,14-16H,3-4,9-13H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 448.51 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 42888072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).