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

C23H27ClN4O4S — CID 55494637

IUPAC4-(tert-butylsulfamoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylbenzamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C23H27ClN4O4S/c1-5-14-28(15-20-25-26-21(32-20)18-8-6-7-9-19(18)24)22(29)16-10-12-17(13-11-16)33(30,31)27-23(2,3)4/h6-13,27H,5,14-15H2,1-4H3
InChIKeyCORHFBLINQBOSL-UHFFFAOYSA-N
MW491.01 g/mol
LogP4.52
Rot. Bonds8

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

4-(tert-butylsulfamoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylbenzamide (PubChem CID 55494637) has the molecular formula C23H27ClN4O4S and a molecular weight of 491.01 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylbenzamide
PubChem CID55494637
Molecular FormulaC23H27ClN4O4S
Molecular Weight491.01 g/mol
Exact Mass490.14
IUPAC Name4-(tert-butylsulfamoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylbenzamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C23H27ClN4O4S/c1-5-14-28(15-20-25-26-21(32-20)18-8-6-7-9-19(18)24)22(29)16-10-12-17(13-11-16)33(30,31)27-23(2,3)4/h6-13,27H,5,14-15H2,1-4H3
InChIKeyCORHFBLINQBOSL-UHFFFAOYSA-N
XLogP4.52
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.01
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide
CID 55361063
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(dimethylsulfamoyl)-N-propylbenzamide
CID 55361291
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]-4-methyl-3-nitro-N-propylbenzamide
CID 24683808
N-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55373022
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]-N-propylthiophene-2-carboxamide
CID 78788619
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]-5-methyl-N-propylpyrazine-2-carboxamide
CID 55361279
N-(tert-butylcarbamoyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 78825504
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,2-diphenyl-N-propylacetamide
CID 55361278
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide
CID 55361336

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylbenzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylbenzamide (CID 55494637) is 4-(tert-butylsulfamoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylbenzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylbenzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylbenzamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylbenzamide?
The InChIKey is CORHFBLINQBOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4S/c1-5-14-28(15-20-25-26-21(32-20)18-8-6-7-9-19(18)24)22(29)16-10-12-17(13-11-16)33(30,31)27-23(2,3)4/h6-13,27H,5,14-15H2,1-4H3.
What are the key properties of 4-(tert-butylsulfamoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylbenzamide?
4-(tert-butylsulfamoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylbenzamide has a molecular weight of 491.01 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylbenzamide is sourced from PubChem (CID 55494637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).