2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide

C25H23N3O2S — CID 42941720

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide
SMILESCc1nc(CSc2ccccc2C(=O)NC(C)c2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C25H23N3O2S/c1-17(19-12-14-21(15-13-19)20-8-4-3-5-9-20)26-25(29)22-10-6-7-11-23(22)31-16-24-27-18(2)30-28-24/h3-15,17H,16H2,1-2H3,(H,26,29)
InChIKeyUIEUADIKSKVLQI-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.83
Rot. Bonds7

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide (PubChem CID 42941720) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide
PubChem CID42941720
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide
SMILESCc1nc(CSc2ccccc2C(=O)NC(C)c2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C25H23N3O2S/c1-17(19-12-14-21(15-13-19)20-8-4-3-5-9-20)26-25(29)22-10-6-7-11-23(22)31-16-24-27-18(2)30-28-24/h3-15,17H,16H2,1-2H3,(H,26,29)
InChIKeyUIEUADIKSKVLQI-UHFFFAOYSA-N
XLogP5.83
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 55591110
N-[1-(2,4-dichlorophenyl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 42941717
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide
CID 39702738
N-[2-(tert-butylamino)-2-oxoethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 134025623
N-[(4-chlorophenyl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 36701837
N-(4-bromophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46530867
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 37095800
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46551445
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)benzamide
CID 36943338
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 46419788
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 71943116
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39509186

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide (CID 42941720) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide is Cc1nc(CSc2ccccc2C(=O)NC(C)c2ccc(-c3ccccc3)cc2)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide?
The InChIKey is UIEUADIKSKVLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-17(19-12-14-21(15-13-19)20-8-4-3-5-9-20)26-25(29)22-10-6-7-11-23(22)31-16-24-27-18(2)30-28-24/h3-15,17H,16H2,1-2H3,(H,26,29).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide has a molecular weight of 429.55 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide is sourced from PubChem (CID 42941720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).