N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide

C18H15Cl2N3O2S — CID 43977085

IUPACN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C18H15Cl2N3O2S/c1-10(2)26-13-6-3-11(4-7-13)16(24)21-18-23-22-17(25-18)14-8-5-12(19)9-15(14)20/h3-10H,1-2H3,(H,21,23,24)
InChIKeyRVUHCMFEJJDVAD-UHFFFAOYSA-N
MW408.31 g/mol
LogP5.80
Rot. Bonds5

About N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide

N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide (PubChem CID 43977085) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide
PubChem CID43977085
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC NameN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C18H15Cl2N3O2S/c1-10(2)26-13-6-3-11(4-7-13)16(24)21-18-23-22-17(25-18)14-8-5-12(19)9-15(14)20/h3-10H,1-2H3,(H,21,23,24)
InChIKeyRVUHCMFEJJDVAD-UHFFFAOYSA-N
XLogP5.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.31
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 41147646
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 43976959
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43977031
4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977026
4-propan-2-ylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 18587122
3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43977052
4-cyano-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7244017
4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 8608540
5-bromo-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 43976895
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide
CID 43977044
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 43976965
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 7244014

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide (CID 43977085) is N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide is CC(C)Sc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide?
The InChIKey is RVUHCMFEJJDVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c1-10(2)26-13-6-3-11(4-7-13)16(24)21-18-23-22-17(25-18)14-8-5-12(19)9-15(14)20/h3-10H,1-2H3,(H,21,23,24).
What are the key properties of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide?
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide has a molecular weight of 408.31 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 43977085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).