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

C18H17ClN4O4S — CID 4975425

IUPACN-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3Cl)no2)cc1
InChIInChI=1S/C18H17ClN4O4S/c1-12(24)21-13-6-8-14(9-7-13)28(25,26)20-11-10-17-22-18(23-27-17)15-4-2-3-5-16(15)19/h2-9,20H,10-11H2,1H3,(H,21,24)
InChIKeyIRCCAZWHODLVEG-UHFFFAOYSA-N
MW420.88 g/mol
LogP2.87
Rot. Bonds7

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

N-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide (PubChem CID 4975425) has the molecular formula C18H17ClN4O4S and a molecular weight of 420.88 g/mol. Its IUPAC name is N-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide
PubChem CID4975425
Molecular FormulaC18H17ClN4O4S
Molecular Weight420.88 g/mol
Exact Mass420.07
IUPAC NameN-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3Cl)no2)cc1
InChIInChI=1S/C18H17ClN4O4S/c1-12(24)21-13-6-8-14(9-7-13)28(25,26)20-11-10-17-22-18(23-27-17)15-4-2-3-5-16(15)19/h2-9,20H,10-11H2,1H3,(H,21,24)
InChIKeyIRCCAZWHODLVEG-UHFFFAOYSA-N
XLogP2.87
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101564
4-bromo-N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4871374
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 17354813
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-propan-2-ylbenzenesulfonamide
CID 110323688
2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323716
4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323465
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
CID 17101530
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide
CID 4969886
N-[4-[2-(5-phenyl-1,2-oxazol-3-yl)ethylsulfamoyl]phenyl]acetamide
CID 110314714
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62098241
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
1-(4-chlorophenyl)-3-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110323647

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide (CID 4975425) is N-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3Cl)no2)cc1.
What is the InChIKey of N-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide?
The InChIKey is IRCCAZWHODLVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4S/c1-12(24)21-13-6-8-14(9-7-13)28(25,26)20-11-10-17-22-18(23-27-17)15-4-2-3-5-16(15)19/h2-9,20H,10-11H2,1H3,(H,21,24).
What are the key properties of N-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide has a molecular weight of 420.88 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4975425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).