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

C19H19ClN4O4S — CID 86936083

IUPACN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1ccccc1CC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H19ClN4O4S/c1-29(26,27)24-16-5-3-2-4-14(16)12-17(25)21-11-10-18-22-19(23-28-18)13-6-8-15(20)9-7-13/h2-9,24H,10-12H2,1H3,(H,21,25)
InChIKeyMODGMLVMMKBSHU-UHFFFAOYSA-N
MW434.91 g/mol
LogP2.66
Rot. Bonds8

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

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide (PubChem CID 86936083) has the molecular formula C19H19ClN4O4S and a molecular weight of 434.91 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide
PubChem CID86936083
Molecular FormulaC19H19ClN4O4S
Molecular Weight434.91 g/mol
Exact Mass434.08
IUPAC NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1ccccc1CC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H19ClN4O4S/c1-29(26,27)24-16-5-3-2-4-14(16)12-17(25)21-11-10-18-22-19(23-28-18)13-6-8-15(20)9-7-13/h2-9,24H,10-12H2,1H3,(H,21,25)
InChIKeyMODGMLVMMKBSHU-UHFFFAOYSA-N
XLogP2.66
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,1-dimethylurea
CID 110324015
4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 51064630
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 4899070
(2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide
CID 119782360
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-3-carboxamide
CID 4898022
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide
CID 55818368
2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide
CID 120989493
2-chloro-N-[2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]ethyl]benzamide
CID 46441965
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9270323
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(ethylamino)ethyl]propanamide
CID 119505234
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289
1-benzyl-3-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylguanidine;hydroiodide
CID 111554882

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide (CID 86936083) is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide is CS(=O)(=O)Nc1ccccc1CC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The InChIKey is MODGMLVMMKBSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4S/c1-29(26,27)24-16-5-3-2-4-14(16)12-17(25)21-11-10-18-22-19(23-28-18)13-6-8-15(20)9-7-13/h2-9,24H,10-12H2,1H3,(H,21,25).
What are the key properties of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide?
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide has a molecular weight of 434.91 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 86936083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).