N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide

C24H29F2N5O3S — CID 140893909

IUPACN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide
SMILESCCN1C(C)CN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2)c2ccccc2)CC1C
InChIInChI=1S/C24H29F2N5O3S/c1-4-30-17(2)14-29(15-18(30)3)35(32,33)31(21-8-6-5-7-9-21)16-19-10-12-20(13-11-19)23-27-28-24(34-23)22(25)26/h5-13,17-18,22H,4,14-16H2,1-3H3
InChIKeyANLYSJMMSHIHSC-UHFFFAOYSA-N
MW505.59 g/mol
LogP4.34
Rot. Bonds8

About N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide (PubChem CID 140893909) has the molecular formula C24H29F2N5O3S and a molecular weight of 505.59 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide
PubChem CID140893909
Molecular FormulaC24H29F2N5O3S
Molecular Weight505.59 g/mol
Exact Mass505.20
IUPAC NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide
SMILESCCN1C(C)CN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2)c2ccccc2)CC1C
InChIInChI=1S/C24H29F2N5O3S/c1-4-30-17(2)14-29(15-18(30)3)35(32,33)31(21-8-6-5-7-9-21)16-19-10-12-20(13-11-19)23-27-28-24(34-23)22(25)26/h5-13,17-18,22H,4,14-16H2,1-3H3
InChIKeyANLYSJMMSHIHSC-UHFFFAOYSA-N
XLogP4.34
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.59
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(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
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylmethanesulfonamide
CID 126507243
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]-2-(4-ethylpiperazin-1-yl)-N-phenylethanesulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylethenesulfonamide
CID 158724995
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-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenyl-4-propan-2-ylpiperazine-1-sulfonamide
CID 126508872
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methylsulfonyl-N-phenylpiperazine-1-sulfonamide
CID 126508294
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-[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-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide
CID 126508346

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide?
The IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide (CID 140893909) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide?
The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide is CCN1C(C)CN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2)c2ccccc2)CC1C.
What is the InChIKey of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide?
The InChIKey is ANLYSJMMSHIHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O3S/c1-4-30-17(2)14-29(15-18(30)3)35(32,33)31(21-8-6-5-7-9-21)16-19-10-12-20(13-11-19)23-27-28-24(34-23)22(25)26/h5-13,17-18,22H,4,14-16H2,1-3H3.
What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide?
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide has a molecular weight of 505.59 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide is sourced from PubChem (CID 140893909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).