3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide

C23H18ClN3O5S — CID 31837609

IUPAC3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(CNC(=O)c1sc2ccccc2c1Cl)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C23H18ClN3O5S/c24-20-16-8-4-5-9-18(16)33-21(20)23(30)25-12-19(28)26-27-22(29)17-11-10-15(32-17)13-31-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,25,30)(H,26,28)(H,27,29)
InChIKeyZUUYNAKRRNHZIY-UHFFFAOYSA-N
MW483.93 g/mol
LogP3.92
Rot. Bonds7

About 3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 31837609) has the molecular formula C23H18ClN3O5S and a molecular weight of 483.93 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide
PubChem CID31837609
Molecular FormulaC23H18ClN3O5S
Molecular Weight483.93 g/mol
Exact Mass483.07
IUPAC Name3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(CNC(=O)c1sc2ccccc2c1Cl)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C23H18ClN3O5S/c24-20-16-8-4-5-9-18(16)33-21(20)23(30)25-12-19(28)26-27-22(29)17-11-10-15(32-17)13-31-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,25,30)(H,26,28)(H,27,29)
InChIKeyZUUYNAKRRNHZIY-UHFFFAOYSA-N
XLogP3.92
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.93
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-4-propan-2-yloxybenzamide
CID 24553932
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide
CID 4933136
3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 3486238
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257
3-chloro-N-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 9303925
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31464668

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide (CID 31837609) is 3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide is O=C(CNC(=O)c1sc2ccccc2c1Cl)NNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of 3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is ZUUYNAKRRNHZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O5S/c24-20-16-8-4-5-9-18(16)33-21(20)23(30)25-12-19(28)26-27-22(29)17-11-10-15(32-17)13-31-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,25,30)(H,26,28)(H,27,29).
What are the key properties of 3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 483.93 g/mol, XLogP of 3.92, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 31837609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).