N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide

C15H20F2N2O4S — CID 51241320

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O4S/c1-24(21,22)19-10-2-3-13(19)14(20)18-9-8-11-4-6-12(7-5-11)23-15(16)17/h4-7,13,15H,2-3,8-10H2,1H3,(H,18,20)
InChIKeyNIXNPJUONROOOE-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.37
Rot. Bonds7

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 51241320) has the molecular formula C15H20F2N2O4S and a molecular weight of 362.40 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID51241320
Molecular FormulaC15H20F2N2O4S
Molecular Weight362.40 g/mol
Exact Mass362.11
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O4S/c1-24(21,22)19-10-2-3-13(19)14(20)18-9-8-11-4-6-12(7-5-11)23-15(16)17/h4-7,13,15H,2-3,8-10H2,1H3,(H,18,20)
InChIKeyNIXNPJUONROOOE-UHFFFAOYSA-N
XLogP1.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255649
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844555
1-(5-methoxy-2-methylphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43888306
N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 110753679
N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51073763
(3S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]piperidine-3-carboxamide
CID 81133526
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55385209
1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 24663628
(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1442033
N-[4-(2-hydroxyethyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 61221418
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide
CID 25498905

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 51241320) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide is CS(=O)(=O)N1CCCC1C(=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is NIXNPJUONROOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O4S/c1-24(21,22)19-10-2-3-13(19)14(20)18-9-8-11-4-6-12(7-5-11)23-15(16)17/h4-7,13,15H,2-3,8-10H2,1H3,(H,18,20).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 362.40 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 51241320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).