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

C20H19Cl2N3O4S — CID 55332799

IUPAC2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylsulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C20H19Cl2N3O4S/c1-12(2)25(20(26)15-10-13(30(3,27)28)8-9-17(15)22)11-18-23-24-19(29-18)14-6-4-5-7-16(14)21/h4-10,12H,11H2,1-3H3
InChIKeyMTMJUASNAMUVQQ-UHFFFAOYSA-N
MW468.36 g/mol
LogP4.50
Rot. Bonds6

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

2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylsulfonyl-N-propan-2-ylbenzamide (PubChem CID 55332799) has the molecular formula C20H19Cl2N3O4S and a molecular weight of 468.36 g/mol. Its IUPAC name is 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylsulfonyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylsulfonyl-N-propan-2-ylbenzamide
PubChem CID55332799
Molecular FormulaC20H19Cl2N3O4S
Molecular Weight468.36 g/mol
Exact Mass467.05
IUPAC Name2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylsulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C20H19Cl2N3O4S/c1-12(2)25(20(26)15-10-13(30(3,27)28)8-9-17(15)22)11-18-23-24-19(29-18)14-6-4-5-7-16(14)21/h4-10,12H,11H2,1-3H3
InChIKeyMTMJUASNAMUVQQ-UHFFFAOYSA-N
XLogP4.50
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylsulfonyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylsulfonyl-N-propan-2-ylbenzamide (CID 55332799) is 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylsulfonyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylsulfonyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylsulfonyl-N-propan-2-ylbenzamide is CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylsulfonyl-N-propan-2-ylbenzamide?
The InChIKey is MTMJUASNAMUVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O4S/c1-12(2)25(20(26)15-10-13(30(3,27)28)8-9-17(15)22)11-18-23-24-19(29-18)14-6-4-5-7-16(14)21/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylsulfonyl-N-propan-2-ylbenzamide?
2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylsulfonyl-N-propan-2-ylbenzamide has a molecular weight of 468.36 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylsulfonyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 55332799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).