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

C23H18N4O3S — CID 1143033

IUPACN-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1)Nc1ccccc1
InChIInChI=1S/C23H18N4O3S/c28-20(24-17-11-5-2-6-12-17)15-31-23-27-26-22(30-23)18-13-7-8-14-19(18)25-21(29)16-9-3-1-4-10-16/h1-14H,15H2,(H,24,28)(H,25,29)
InChIKeyAJZWCOXCIYJGQE-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.72
Rot. Bonds7

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

N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 1143033) has the molecular formula C23H18N4O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID1143033
Molecular FormulaC23H18N4O3S
Molecular Weight430.49 g/mol
Exact Mass430.11
IUPAC NameN-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1)Nc1ccccc1
InChIInChI=1S/C23H18N4O3S/c28-20(24-17-11-5-2-6-12-17)15-31-23-27-26-22(30-23)18-13-7-8-14-19(18)25-21(29)16-9-3-1-4-10-16/h1-14H,15H2,(H,24,28)(H,25,29)
InChIKeyAJZWCOXCIYJGQE-UHFFFAOYSA-N
XLogP4.72
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 1143038
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 829031
N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5243510
N-(4-fluorophenyl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3133284
N-(4-tert-butylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4221337
4-[[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 135710112
N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78762625
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 5133430
4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2413834
N-(3-methylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 645555
N-[5-[[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylphenyl]benzamide
CID 3452680
N-(3,5-dichlorophenyl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1114728

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 1143033) is N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide is O=C(CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1)Nc1ccccc1.
What is the InChIKey of N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is AJZWCOXCIYJGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S/c28-20(24-17-11-5-2-6-12-17)15-31-23-27-26-22(30-23)18-13-7-8-14-19(18)25-21(29)16-9-3-1-4-10-16/h1-14H,15H2,(H,24,28)(H,25,29).
What are the key properties of N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 430.49 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 1143033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).