N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide

C17H25FN2O4S — CID 55916654

IUPACN-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(OCC)c(F)c1
InChIInChI=1S/C17H25FN2O4S/c1-3-11-25(22,23)20-10-6-5-7-15(20)17(21)19-13-8-9-16(24-4-2)14(18)12-13/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,19,21)
InChIKeyDHNMFZQNLIBCHD-UHFFFAOYSA-N
MW372.46 g/mol
LogP2.76
Rot. Bonds7

About N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide

N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide (PubChem CID 55916654) has the molecular formula C17H25FN2O4S and a molecular weight of 372.46 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide
PubChem CID55916654
Molecular FormulaC17H25FN2O4S
Molecular Weight372.46 g/mol
Exact Mass372.15
IUPAC NameN-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(OCC)c(F)c1
InChIInChI=1S/C17H25FN2O4S/c1-3-11-25(22,23)20-10-6-5-7-15(20)17(21)19-13-8-9-16(24-4-2)14(18)12-13/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,19,21)
InChIKeyDHNMFZQNLIBCHD-UHFFFAOYSA-N
XLogP2.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 146088881
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
tert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate
CID 55972215
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 55817715
N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 87026032
(2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491129
(2S)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491130
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 55544635
N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55819863
N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55453705

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide (CID 55916654) is N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide is CCCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(OCC)c(F)c1.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide?
The InChIKey is DHNMFZQNLIBCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O4S/c1-3-11-25(22,23)20-10-6-5-7-15(20)17(21)19-13-8-9-16(24-4-2)14(18)12-13/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide?
N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide has a molecular weight of 372.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 55916654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).