N-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide

C25H22N4O4S — CID 1143038

IUPACN-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C25H22N4O4S/c1-2-32-19-14-12-18(13-15-19)26-22(30)16-34-25-29-28-24(33-25)20-10-6-7-11-21(20)27-23(31)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,26,30)(H,27,31)
InChIKeyWQRDZNOLWWLTNO-UHFFFAOYSA-N
MW474.54 g/mol
LogP5.12
Rot. Bonds9

About N-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide

N-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 1143038) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is N-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID1143038
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC NameN-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C25H22N4O4S/c1-2-32-19-14-12-18(13-15-19)26-22(30)16-34-25-29-28-24(33-25)20-10-6-7-11-21(20)27-23(31)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,26,30)(H,27,31)
InChIKeyWQRDZNOLWWLTNO-UHFFFAOYSA-N
XLogP5.12
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.54
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 1143033
N-(4-ethoxyphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4645196
2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 3201394
N-[4-(cyanomethyl)phenyl]-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7644575
N-[4-(dimethylamino)phenyl]-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78797471
N-(4-methoxyphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1300503
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 4208499
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 5133430
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
CID 43952651
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-diethoxyphenyl)acetamide
CID 4242949
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 3882917
4-[[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 135710112

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of N-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 1143038) is N-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for N-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide is CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)o2)cc1.
What is the InChIKey of N-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is WQRDZNOLWWLTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c1-2-32-19-14-12-18(13-15-19)26-22(30)16-34-25-29-28-24(33-25)20-10-6-7-11-21(20)27-23(31)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
N-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 474.54 g/mol, XLogP of 5.12, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 1143038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).