N-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

C22H27FN2O4S — CID 78892545

IUPACN-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C22H27FN2O4S/c1-3-29-20-16-18(23)10-11-19(20)24-21(26)22(17-8-6-5-7-9-17)12-14-25(15-13-22)30(27,28)4-2/h5-11,16H,3-4,12-15H2,1-2H3,(H,24,26)
InChIKeyLEYKTAXJCFPGNC-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.55
Rot. Bonds7

About N-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

N-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (PubChem CID 78892545) has the molecular formula C22H27FN2O4S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
PubChem CID78892545
Molecular FormulaC22H27FN2O4S
Molecular Weight434.53 g/mol
Exact Mass434.17
IUPAC NameN-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C22H27FN2O4S/c1-3-29-20-16-18(23)10-11-19(20)24-21(26)22(17-8-6-5-7-9-17)12-14-25(15-13-22)30(27,28)4-2/h5-11,16H,3-4,12-15H2,1-2H3,(H,24,26)
InChIKeyLEYKTAXJCFPGNC-UHFFFAOYSA-N
XLogP3.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 29457055
N-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 139002277
N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78887706
N-[(2,4-difluorophenyl)methyl]-1-ethylsulfonyl-N-methyl-4-phenylpiperidine-4-carboxamide
CID 78844988
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816005
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 30669639
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide
CID 78816371

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (CID 78892545) is N-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is CCOc1cc(F)ccc1NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of N-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The InChIKey is LEYKTAXJCFPGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4S/c1-3-29-20-16-18(23)10-11-19(20)24-21(26)22(17-8-6-5-7-9-17)12-14-25(15-13-22)30(27,28)4-2/h5-11,16H,3-4,12-15H2,1-2H3,(H,24,26).
What are the key properties of N-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
N-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide has a molecular weight of 434.53 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 78892545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).