N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide

C16H22F2N2O5S — CID 18280720

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(OC)c(OC(F)F)c2)CC1
InChIInChI=1S/C16H22F2N2O5S/c1-3-26(22,23)20-8-6-11(7-9-20)15(21)19-12-4-5-13(24-2)14(10-12)25-16(17)18/h4-5,10-11,16H,3,6-9H2,1-2H3,(H,19,21)
InChIKeyNURVVNAUOHWQNK-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.30
Rot. Bonds7

About N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide

N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 18280720) has the molecular formula C16H22F2N2O5S and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID18280720
Molecular FormulaC16H22F2N2O5S
Molecular Weight392.42 g/mol
Exact Mass392.12
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(OC)c(OC(F)F)c2)CC1
InChIInChI=1S/C16H22F2N2O5S/c1-3-26(22,23)20-8-6-11(7-9-20)15(21)19-12-4-5-13(24-2)14(10-12)25-16(17)18/h4-5,10-11,16H,3,6-9H2,1-2H3,(H,19,21)
InChIKeyNURVVNAUOHWQNK-UHFFFAOYSA-N
XLogP2.30
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(3,4-dimethoxyphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447145
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55539384
3-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 66009363
cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465635
cis-(1S,2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465638
N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide
CID 119420188
N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide
CID 38824177
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46530664
1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 38267925
N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
CID 56790840
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
N-(3,4-dimethoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32676956

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide (CID 18280720) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(OC)c(OC(F)F)c2)CC1.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is NURVVNAUOHWQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O5S/c1-3-26(22,23)20-8-6-11(7-9-20)15(21)19-12-4-5-13(24-2)14(10-12)25-16(17)18/h4-5,10-11,16H,3,6-9H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 18280720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).