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

C19H17N3O4S — CID 7205235

IUPACN-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C19H17N3O4S/c1-25-15-9-7-13(8-10-15)16(23)12-27-19-22-21-17(26-19)11-20-18(24)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyPIVUONGDWVKRIO-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.98
Rot. Bonds8

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

N-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 7205235) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID7205235
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C19H17N3O4S/c1-25-15-9-7-13(8-10-15)16(23)12-27-19-22-21-17(26-19)11-20-18(24)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyPIVUONGDWVKRIO-UHFFFAOYSA-N
XLogP2.98
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-{5-[(2,4-Dimethyl-phenylamino)-methyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-1-(4-methoxy-phenyl)-ethanone
CID 655507
N-cyclohexyl-2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 697202
2-[5-(4-Methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-phenethyl-acetamide
CID 1073178
2-[[5-[(4-Fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 1164148
2-{5-[(4-Methoxy-phenylamino)-methyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-1-p-tolyl-ethanone
CID 1170156
N-(2-furylmethyl)-2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]thio}acetamide
CID 1326212
2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
CID 1326340
2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(1-phenylethyl)acetamide
CID 2920510
3,4-dimethoxy-N-({5-[(2-oxo-2-piperidin-1-ylethyl)thio]-1,3,4-oxadiazol-2-yl}methyl)benzamide
CID 3242245
3,4-dimethoxy-N-[(5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thio}-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 3244535
2-Fluoro-N-{[5-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}benzamide
CID 3423767
3,4-dimethoxy-N-((5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
CID 4123696

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 7205235) is N-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccccc3)o2)cc1.
What is the InChIKey of N-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is PIVUONGDWVKRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-25-15-9-7-13(8-10-15)16(23)12-27-19-22-21-17(26-19)11-20-18(24)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,20,24).
What are the key properties of N-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
N-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 383.43 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 7205235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).