N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C24H22N4O4S — CID 92728786

IUPACN-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3noc([C@H](C)NC(=O)c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C24H22N4O4S/c1-16-8-14-21(15-9-16)33(30,31)28-20-12-10-18(11-13-20)22-26-24(32-27-22)17(2)25-23(29)19-6-4-3-5-7-19/h3-15,17,28H,1-2H3,(H,25,29)/t17-/m0/s1
InChIKeyLCYOZXUIOABOMQ-KRWDZBQOSA-N
MW462.53 g/mol
LogP4.34
Rot. Bonds7

About N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 92728786) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID92728786
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3noc([C@H](C)NC(=O)c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C24H22N4O4S/c1-16-8-14-21(15-9-16)33(30,31)28-20-12-10-18(11-13-20)22-26-24(32-27-22)17(2)25-23(29)19-6-4-3-5-7-19/h3-15,17,28H,1-2H3,(H,25,29)/t17-/m0/s1
InChIKeyLCYOZXUIOABOMQ-KRWDZBQOSA-N
XLogP4.34
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-[4-(ethylsulfonylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20972370
N-[1-[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 46380476
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
N-[1-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 50822972
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
N-[1-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20934008
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
CID 25211295
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288684
1-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-[(1R)-2-phenyl-1-[3-(4-propoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 146549552
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354607

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 92728786) is N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3noc([C@H](C)NC(=O)c4ccccc4)n3)cc2)cc1.
What is the InChIKey of N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is LCYOZXUIOABOMQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-16-8-14-21(15-9-16)33(30,31)28-20-12-10-18(11-13-20)22-26-24(32-27-22)17(2)25-23(29)19-6-4-3-5-7-19/h3-15,17,28H,1-2H3,(H,25,29)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 462.53 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 92728786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).