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

C42H44F4N8O6S2 — CID 158724995

IUPACN-[[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
SMILESC=CS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccccc1.CCN1CCN(CCS(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2)c2ccccc2)CC1
InChIInChI=1S/C24H29F2N5O3S.C18H15F2N3O3S/c1-2-29-12-14-30(15-13-29)16-17-35(32,33)31(21-6-4-3-5-7-21)18-19-8-10-20(11-9-19)23-27-28-24(34-23)22(25)26;1-2-27(24,25)23(15-6-4-3-5-7-15)12-13-8-10-14(11-9-13)17-21-22-18(26-17)16(19)20/h3-11,22H,2,12-18H2,1H3;2-11,16H,1,12H2
InChIKeyIKJUXXFTOUSFKA-UHFFFAOYSA-N
MW896.99 g/mol
LogP7.80
Rot. Bonds17

About 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

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 (PubChem CID 158724995) has the molecular formula C42H44F4N8O6S2 and a molecular weight of 896.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID158724995
Molecular FormulaC42H44F4N8O6S2
Molecular Weight896.99 g/mol
Exact Mass896.28
IUPAC NameN-[[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
SMILESC=CS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccccc1.CCN1CCN(CCS(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2)c2ccccc2)CC1
InChIInChI=1S/C24H29F2N5O3S.C18H15F2N3O3S/c1-2-29-12-14-30(15-13-29)16-17-35(32,33)31(21-6-4-3-5-7-21)18-19-8-10-20(11-9-19)23-27-28-24(34-23)22(25)26;1-2-27(24,25)23(15-6-4-3-5-7-15)12-13-8-10-14(11-9-13)17-21-22-18(26-17)16(19)20/h3-11,22H,2,12-18H2,1H3;2-11,16H,1,12H2
InChIKeyIKJUXXFTOUSFKA-UHFFFAOYSA-N
XLogP7.80
TPSA159.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500896.99
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-(diethylamino)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethanesulfonamide
CID 126505912
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylmethanesulfonamide
CID 126507243
(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
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
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-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-(3,3-difluoropyrrolidin-1-yl)-N-phenylpropane-1-sulfonamide
CID 126508054
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanesulfinamide
CID 145238761
(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
(3S,5R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-3,4,5-trimethyl-N-pyridin-3-ylpiperazine-1-sulfonamide
CID 126508807

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccccc1.CCN1CCN(CCS(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2)c2ccccc2)CC1.
What is the InChIKey of 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?
The InChIKey is IKJUXXFTOUSFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O3S.C18H15F2N3O3S/c1-2-29-12-14-30(15-13-29)16-17-35(32,33)31(21-6-4-3-5-7-21)18-19-8-10-20(11-9-19)23-27-28-24(34-23)22(25)26;1-2-27(24,25)23(15-6-4-3-5-7-15)12-13-8-10-14(11-9-13)17-21-22-18(26-17)16(19)20/h3-11,22H,2,12-18H2,1H3;2-11,16H,1,12H2.
What are the key properties of 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?
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 has a molecular weight of 896.99 g/mol, XLogP of 7.80, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158724995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).