2-(diethylamino)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfonamide

C22H26F2N4O3S — CID 126505912

IUPAC2-(diethylamino)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfonamide
SMILESCCN(CC)CCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccccc1
InChIInChI=1S/C22H26F2N4O3S/c1-3-27(4-2)14-15-32(29,30)28(19-8-6-5-7-9-19)16-17-10-12-18(13-11-17)21-25-26-22(31-21)20(23)24/h5-13,20H,3-4,14-16H2,1-2H3
InChIKeyDDTFROXTEYNRHO-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.35
Rot. Bonds11

About 2-(diethylamino)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfonamide

2-(diethylamino)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfonamide (PubChem CID 126505912) has the molecular formula C22H26F2N4O3S and a molecular weight of 464.54 g/mol. Its IUPAC name is 2-(diethylamino)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfonamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfonamide
PubChem CID126505912
Molecular FormulaC22H26F2N4O3S
Molecular Weight464.54 g/mol
Exact Mass464.17
IUPAC Name2-(diethylamino)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfonamide
SMILESCCN(CC)CCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccccc1
InChIInChI=1S/C22H26F2N4O3S/c1-3-27(4-2)14-15-32(29,30)28(19-8-6-5-7-9-19)16-17-10-12-18(13-11-17)21-25-26-22(31-21)20(23)24/h5-13,20H,3-4,14-16H2,1-2H3
InChIKeyDDTFROXTEYNRHO-UHFFFAOYSA-N
XLogP4.35
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylmethanesulfonamide
CID 126507243
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-N-phenylethanesulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethenesulfonamide
CID 158724995
(3R,5S)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide
CID 126509003
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide
CID 140893909
2-[benzyl(ethyl)amino]-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfinamide
CID 145238643
2-(dimethylamino)-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-phenylethanesulfonamide
CID 126541724
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanesulfonamide
CID 140904132
N-[[4-(2-aminoacetyl)phenyl]methyl]-N-phenyl-3-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]propane-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-3-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]propane-1-sulfonamide
CID 159463869
N-[[4-(2-aminoacetyl)phenyl]methyl]-3-(3,3-difluoropyrrolidin-1-yl)-N-phenylpropane-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-3-(3,3-difluoropyrrolidin-1-yl)-N-phenylpropane-1-sulfonamide
CID 159962545
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-phenylethanesulfonamide;N-[2-[4-[[N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethylsulfonyl]anilino]methyl]phenyl]-2-oxoethyl]-2,2-difluoroacetamide
CID 158817098
(3R,5S)-N-[[4-(2-aminoacetyl)phenyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfonamide;(3R,5S)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfonamide
CID 158822472
N-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide
CID 126507712

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfonamide?
The IUPAC name of 2-(diethylamino)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfonamide (CID 126505912) is 2-(diethylamino)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfonamide.
What is the SMILES notation for 2-(diethylamino)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfonamide?
The canonical SMILES for 2-(diethylamino)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfonamide is CCN(CC)CCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfonamide?
The InChIKey is DDTFROXTEYNRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O3S/c1-3-27(4-2)14-15-32(29,30)28(19-8-6-5-7-9-19)16-17-10-12-18(13-11-17)21-25-26-22(31-21)20(23)24/h5-13,20H,3-4,14-16H2,1-2H3.
What are the key properties of 2-(diethylamino)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfonamide?
2-(diethylamino)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfonamide has a molecular weight of 464.54 g/mol, XLogP of 4.35, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfonamide is sourced from PubChem (CID 126505912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).