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

C25H24N4O4S — CID 10162609

IUPACN-[[4-(methanesulfonamido)phenyl]methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccc(NS(C)(=O)=O)cc4)cc3)c2)o1
InChIInChI=1S/C25H24N4O4S/c1-16-4-7-21(25-28-27-17(2)33-25)14-23(16)19-8-10-20(11-9-19)24(30)26-15-18-5-12-22(13-6-18)29-34(3,31)32/h4-14,29H,15H2,1-3H3,(H,26,30)
InChIKeyCFEHGVYGSPBBGT-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.32
Rot. Bonds7

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

N-[[4-(methanesulfonamido)phenyl]methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 10162609) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[[4-(methanesulfonamido)phenyl]methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[[4-(methanesulfonamido)phenyl]methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID10162609
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC NameN-[[4-(methanesulfonamido)phenyl]methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccc(NS(C)(=O)=O)cc4)cc3)c2)o1
InChIInChI=1S/C25H24N4O4S/c1-16-4-7-21(25-28-27-17(2)33-25)14-23(16)19-8-10-20(11-9-19)24(30)26-15-18-5-12-22(13-6-18)29-34(3,31)32/h4-14,29H,15H2,1-3H3,(H,26,30)
InChIKeyCFEHGVYGSPBBGT-UHFFFAOYSA-N
XLogP4.32
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide
CID 10200651
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 25093461
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 25093463
N-(4-methanesulfonamidophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093464
N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093465
N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 44580449
N-(3-methanimidoylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 44629612
N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide
CID 46933653
N-(4-Fluorophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxamide
CID 10200209
N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[2-[(3,3,3-trifluoropropylamino)methyl]phenyl]phenyl]-N-methylmethanesulfonamide
CID 11497984
N-[[2-[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 11592362
N-[(4-tert-butylphenyl)methyl]-5-[4-(fluoromethylsulfonylamino)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 58525307

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methanesulfonamido)phenyl]methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-[[4-(methanesulfonamido)phenyl]methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 10162609) is N-[[4-(methanesulfonamido)phenyl]methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[[4-(methanesulfonamido)phenyl]methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-[[4-(methanesulfonamido)phenyl]methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccc(NS(C)(=O)=O)cc4)cc3)c2)o1.
What is the InChIKey of N-[[4-(methanesulfonamido)phenyl]methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is CFEHGVYGSPBBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-16-4-7-21(25-28-27-17(2)33-25)14-23(16)19-8-10-20(11-9-19)24(30)26-15-18-5-12-22(13-6-18)29-34(3,31)32/h4-14,29H,15H2,1-3H3,(H,26,30).
What are the key properties of N-[[4-(methanesulfonamido)phenyl]methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-[[4-(methanesulfonamido)phenyl]methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 476.56 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methanesulfonamido)phenyl]methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 10162609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).