N-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide

C22H22N4O6S — CID 51134706

IUPACN-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2ccco2)c1)NNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C22H22N4O6S/c27-21(25-24-15-8-10-19(11-9-15)33(29,30)26-16-6-7-16)14-32-18-4-1-3-17(13-18)23-22(28)20-5-2-12-31-20/h1-5,8-13,16,24,26H,6-7,14H2,(H,23,28)(H,25,27)
InChIKeyOWWUAEDDVWVIRJ-UHFFFAOYSA-N
MW470.51 g/mol
LogP2.49
Rot. Bonds10

About N-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 51134706) has the molecular formula C22H22N4O6S and a molecular weight of 470.51 g/mol. Its IUPAC name is N-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID51134706
Molecular FormulaC22H22N4O6S
Molecular Weight470.51 g/mol
Exact Mass470.13
IUPAC NameN-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2ccco2)c1)NNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C22H22N4O6S/c27-21(25-24-15-8-10-19(11-9-15)33(29,30)26-16-6-7-16)14-32-18-4-1-3-17(13-18)23-22(28)20-5-2-12-31-20/h1-5,8-13,16,24,26H,6-7,14H2,(H,23,28)(H,25,27)
InChIKeyOWWUAEDDVWVIRJ-UHFFFAOYSA-N
XLogP2.49
TPSA138.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 119477145
cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676823
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-[4-(cyclopentylcarbamoyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55959108
N-[3-[2-[(2-methylpiperidin-4-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120601673
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[2-[3-(furan-2-ylmethoxymethyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55933693
N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46474980
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119642129
N-[3-[2-[3-(furan-2-ylmethoxy)propylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 86930220
N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119557618
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46407349

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 51134706) is N-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide is O=C(COc1cccc(NC(=O)c2ccco2)c1)NNc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is OWWUAEDDVWVIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O6S/c27-21(25-24-15-8-10-19(11-9-15)33(29,30)26-16-6-7-16)14-32-18-4-1-3-17(13-18)23-22(28)20-5-2-12-31-20/h1-5,8-13,16,24,26H,6-7,14H2,(H,23,28)(H,25,27).
What are the key properties of N-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 470.51 g/mol, XLogP of 2.49, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 51134706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).