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

C20H24N4O3S — CID 126541724

IUPAC2-(dimethylamino)-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-phenylethanesulfonamide
SMILESCc1nnc(-c2ccc(CN(c3ccccc3)S(=O)(=O)CCN(C)C)cc2)o1
InChIInChI=1S/C20H24N4O3S/c1-16-21-22-20(27-16)18-11-9-17(10-12-18)15-24(19-7-5-4-6-8-19)28(25,26)14-13-23(2)3/h4-12H,13-15H2,1-3H3
InChIKeyWALNFZMJHJLIHX-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.94
Rot. Bonds8

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

2-(dimethylamino)-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-phenylethanesulfonamide (PubChem CID 126541724) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-phenylethanesulfonamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-phenylethanesulfonamide
PubChem CID126541724
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name2-(dimethylamino)-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-phenylethanesulfonamide
SMILESCc1nnc(-c2ccc(CN(c3ccccc3)S(=O)(=O)CCN(C)C)cc2)o1
InChIInChI=1S/C20H24N4O3S/c1-16-21-22-20(27-16)18-11-9-17(10-12-18)15-24(19-7-5-4-6-8-19)28(25,26)14-13-23(2)3/h4-12H,13-15H2,1-3H3
InChIKeyWALNFZMJHJLIHX-UHFFFAOYSA-N
XLogP2.94
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-benzyl-2-methoxy-N-phenylethanesulfonamide
CID 110300125
2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene
CID 157157668
4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline
CID 171831830
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-[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-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127265
(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]-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-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-phenylethanesulfonamide?
The IUPAC name of 2-(dimethylamino)-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-phenylethanesulfonamide (CID 126541724) is 2-(dimethylamino)-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-phenylethanesulfonamide.
What is the SMILES notation for 2-(dimethylamino)-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-phenylethanesulfonamide?
The canonical SMILES for 2-(dimethylamino)-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-phenylethanesulfonamide is Cc1nnc(-c2ccc(CN(c3ccccc3)S(=O)(=O)CCN(C)C)cc2)o1.
What is the InChIKey of 2-(dimethylamino)-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-phenylethanesulfonamide?
The InChIKey is WALNFZMJHJLIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-16-21-22-20(27-16)18-11-9-17(10-12-18)15-24(19-7-5-4-6-8-19)28(25,26)14-13-23(2)3/h4-12H,13-15H2,1-3H3.
What are the key properties of 2-(dimethylamino)-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-phenylethanesulfonamide?
2-(dimethylamino)-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-phenylethanesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-phenylethanesulfonamide is sourced from PubChem (CID 126541724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).