2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide

C18H15ClN4O3S — CID 8708504

IUPAC2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
SMILESCC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C18H15ClN4O3S/c1-11(24)20-15-4-2-3-12(9-15)17-22-23-18(26-17)27-10-16(25)21-14-7-5-13(19)6-8-14/h2-9H,10H2,1H3,(H,20,24)(H,21,25)
InChIKeyRCQKPIJPZZCKGO-UHFFFAOYSA-N
MW402.86 g/mol
LogP4.08
Rot. Bonds6

About 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide

2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide (PubChem CID 8708504) has the molecular formula C18H15ClN4O3S and a molecular weight of 402.86 g/mol. Its IUPAC name is 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
PubChem CID8708504
Molecular FormulaC18H15ClN4O3S
Molecular Weight402.86 g/mol
Exact Mass402.06
IUPAC Name2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
SMILESCC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C18H15ClN4O3S/c1-11(24)20-15-4-2-3-12(9-15)17-22-23-18(26-17)27-10-16(25)21-14-7-5-13(19)6-8-14/h2-9H,10H2,1H3,(H,20,24)(H,21,25)
InChIKeyRCQKPIJPZZCKGO-UHFFFAOYSA-N
XLogP4.08
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5018511
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 3619493
N-(5-acetamido-2-fluorophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 55551642
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859
N-(3-chlorophenyl)-2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1374929
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylsulfanylphenyl)acetamide
CID 27365004
2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-bromophenyl)acetamide
CID 92645210
N-[3-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 3164514
N-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4211464
3-[[2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-methylbenzamide
CID 8644321
methyl 5-[[2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-fluorobenzoate
CID 3424078
N-(4-tert-butylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4312624

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide (CID 8708504) is 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide is CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide?
The InChIKey is RCQKPIJPZZCKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3S/c1-11(24)20-15-4-2-3-12(9-15)17-22-23-18(26-17)27-10-16(25)21-14-7-5-13(19)6-8-14/h2-9H,10H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide?
2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide has a molecular weight of 402.86 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 8708504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).