N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C24H21ClN4O5S — CID 142734015

IUPACN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H21ClN4O5S/c1-16-7-13-19(14-8-16)35(31,32)29(20-5-3-4-6-21(20)33-2)15-22(30)26-24-28-27-23(34-24)17-9-11-18(25)12-10-17/h3-14H,15H2,1-2H3,(H,26,28,30)
InChIKeyYIUWCDFIEQUOQJ-UHFFFAOYSA-N
MW512.98 g/mol
LogP4.54
Rot. Bonds8

About N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 142734015) has the molecular formula C24H21ClN4O5S and a molecular weight of 512.98 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID142734015
Molecular FormulaC24H21ClN4O5S
Molecular Weight512.98 g/mol
Exact Mass512.09
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H21ClN4O5S/c1-16-7-13-19(14-8-16)35(31,32)29(20-5-3-4-6-21(20)33-2)15-22(30)26-24-28-27-23(34-24)17-9-11-18(25)12-10-17/h3-14H,15H2,1-2H3,(H,26,28,30)
InChIKeyYIUWCDFIEQUOQJ-UHFFFAOYSA-N
XLogP4.54
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.98
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894783
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43897680
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1333379
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid
CID 28590028
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 29284468
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893894
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100772302
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894877
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43897299
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51344748
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344513
N-(2-chloro-4-methylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 52891332

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 142734015) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccccc1N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is YIUWCDFIEQUOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O5S/c1-16-7-13-19(14-8-16)35(31,32)29(20-5-3-4-6-21(20)33-2)15-22(30)26-24-28-27-23(34-24)17-9-11-18(25)12-10-17/h3-14H,15H2,1-2H3,(H,26,28,30).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 512.98 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 142734015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).