N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide

C21H19N3O4S — CID 9471385

IUPACN'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide
SMILESCCc1ccc2c(CC(=O)NNC(=O)CSc3nc4ccccc4o3)coc2c1
InChIInChI=1S/C21H19N3O4S/c1-2-13-7-8-15-14(11-27-18(15)9-13)10-19(25)23-24-20(26)12-29-21-22-16-5-3-4-6-17(16)28-21/h3-9,11H,2,10,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyCMQAYZIZOXBNCN-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.62
Rot. Bonds6

About N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide

N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide (PubChem CID 9471385) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide
PubChem CID9471385
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide
SMILESCCc1ccc2c(CC(=O)NNC(=O)CSc3nc4ccccc4o3)coc2c1
InChIInChI=1S/C21H19N3O4S/c1-2-13-7-8-15-14(11-27-18(15)9-13)10-19(25)23-24-20(26)12-29-21-22-16-5-3-4-6-17(16)28-21/h3-9,11H,2,10,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyCMQAYZIZOXBNCN-UHFFFAOYSA-N
XLogP3.62
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]furan-2-carbohydrazide
CID 7756427
2-(1,3-benzoxazol-2-ylsulfanyl)-N-pentan-3-ylacetamide
CID 2693066
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide
CID 18159487
2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2446439
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(2,5-dimethylphenyl)sulfanylacetohydrazide
CID 9471446
2-(6-ethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18107939
N-[2-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9471435
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(2,4-dimethylanilino)acetohydrazide
CID 9432141
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-phenylbenzohydrazide
CID 9471511
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-bromobenzohydrazide
CID 9340002
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 7756631
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide
CID 9326033

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide?
The IUPAC name of N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide (CID 9471385) is N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide is CCc1ccc2c(CC(=O)NNC(=O)CSc3nc4ccccc4o3)coc2c1.
What is the InChIKey of N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide?
The InChIKey is CMQAYZIZOXBNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-2-13-7-8-15-14(11-27-18(15)9-13)10-19(25)23-24-20(26)12-29-21-22-16-5-3-4-6-17(16)28-21/h3-9,11H,2,10,12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide?
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide has a molecular weight of 409.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide is sourced from PubChem (CID 9471385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).