4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide

C20H19Cl2N3O4S — CID 55361063

IUPAC4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C20H19Cl2N3O4S/c1-3-10-25(20(26)13-8-9-16(22)17(11-13)30(2,27)28)12-18-23-24-19(29-18)14-6-4-5-7-15(14)21/h4-9,11H,3,10,12H2,1-2H3
InChIKeyJUMPURHKKOPOJM-UHFFFAOYSA-N
MW468.36 g/mol
LogP4.50
Rot. Bonds7

About 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide

4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide (PubChem CID 55361063) has the molecular formula C20H19Cl2N3O4S and a molecular weight of 468.36 g/mol. Its IUPAC name is 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide
PubChem CID55361063
Molecular FormulaC20H19Cl2N3O4S
Molecular Weight468.36 g/mol
Exact Mass467.05
IUPAC Name4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C20H19Cl2N3O4S/c1-3-10-25(20(26)13-8-9-16(22)17(11-13)30(2,27)28)12-18-23-24-19(29-18)14-6-4-5-7-15(14)21/h4-9,11H,3,10,12H2,1-2H3
InChIKeyJUMPURHKKOPOJM-UHFFFAOYSA-N
XLogP4.50
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(dimethylsulfamoyl)-N-propylbenzamide
CID 55361291
4-(tert-butylsulfamoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylbenzamide
CID 55494637
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-3-morpholin-4-ylsulfonyl-N-propylbenzamide
CID 24683807
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-3-nitro-N-propylbenzamide
CID 24683808
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(phenoxymethyl)-N-propylbenzamide
CID 24684596
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide
CID 55361336
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylthiophene-2-carboxamide
CID 78788619
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(2-oxopiperidin-1-yl)-N-propylbenzamide
CID 55429486
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 55361279
5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propylbenzamide
CID 55361219
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839965
N-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55373022

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide?
The IUPAC name of 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide (CID 55361063) is 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide.
What is the SMILES notation for 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide?
The canonical SMILES for 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide?
The InChIKey is JUMPURHKKOPOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O4S/c1-3-10-25(20(26)13-8-9-16(22)17(11-13)30(2,27)28)12-18-23-24-19(29-18)14-6-4-5-7-15(14)21/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide?
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide has a molecular weight of 468.36 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide is sourced from PubChem (CID 55361063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).