2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide

C24H21N3O2S — CID 1293770

IUPAC2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCc1cccc(-c2nnc(-c3ccc(NC(=O)CSCc4ccccc4)cc3)o2)c1
InChIInChI=1S/C24H21N3O2S/c1-17-6-5-9-20(14-17)24-27-26-23(29-24)19-10-12-21(13-11-19)25-22(28)16-30-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyARINTRWEWMKFNC-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.58
Rot. Bonds7

About 2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide

2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (PubChem CID 1293770) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
PubChem CID1293770
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCc1cccc(-c2nnc(-c3ccc(NC(=O)CSCc4ccccc4)cc3)o2)c1
InChIInChI=1S/C24H21N3O2S/c1-17-6-5-9-20(14-17)24-27-26-23(29-24)19-10-12-21(13-11-19)25-22(28)16-30-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyARINTRWEWMKFNC-UHFFFAOYSA-N
XLogP5.58
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 17297052
2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7914800
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 87008284
2-benzylsulfanyl-N-phenylacetamide
CID 584914
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetic acid
CID 43352231
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-nitrophenyl)phenyl]acetamide
CID 3311376
2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 17297277
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-phenylacetamide
CID 110725539
1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387996
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
CID 17297337

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (CID 1293770) is 2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is Cc1cccc(-c2nnc(-c3ccc(NC(=O)CSCc4ccccc4)cc3)o2)c1.
What is the InChIKey of 2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The InChIKey is ARINTRWEWMKFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-17-6-5-9-20(14-17)24-27-26-23(29-24)19-10-12-21(13-11-19)25-22(28)16-30-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,25,28).
What are the key properties of 2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide has a molecular weight of 415.52 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 1293770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).