N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide

C19H22N4O6S — CID 27685933

IUPACN-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N4O6S/c24-17(9-10-20-19(26)16-4-3-13-29-16)21-22-18(25)14-5-7-15(8-6-14)30(27,28)23-11-1-2-12-23/h3-8,13H,1-2,9-12H2,(H,20,26)(H,21,24)(H,22,25)
InChIKeyIMHPPFGKOFVNGM-UHFFFAOYSA-N
MW434.47 g/mol
LogP0.65
Rot. Bonds7

About N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide

N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide (PubChem CID 27685933) has the molecular formula C19H22N4O6S and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide
PubChem CID27685933
Molecular FormulaC19H22N4O6S
Molecular Weight434.47 g/mol
Exact Mass434.13
IUPAC NameN-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N4O6S/c24-17(9-10-20-19(26)16-4-3-13-29-16)21-22-18(25)14-5-7-15(8-6-14)30(27,28)23-11-1-2-12-23/h3-8,13H,1-2,9-12H2,(H,20,26)(H,21,24)(H,22,25)
InChIKeyIMHPPFGKOFVNGM-UHFFFAOYSA-N
XLogP0.65
TPSA137.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 50.65
H-Bond Donors ≤ 53
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-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 4805945
2,4-difluoro-N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]benzamide
CID 30485549
N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
CID 4817035
N-[2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]ethyl]furan-2-carboxamide
CID 55549044
N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
CID 9414906
4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide
CID 24515155
4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9477234
N-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 26869336
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate
CID 42971861
N-[3-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 26826496
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 29169317

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide (CID 27685933) is N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide?
The InChIKey is IMHPPFGKOFVNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O6S/c24-17(9-10-20-19(26)16-4-3-13-29-16)21-22-18(25)14-5-7-15(8-6-14)30(27,28)23-11-1-2-12-23/h3-8,13H,1-2,9-12H2,(H,20,26)(H,21,24)(H,22,25).
What are the key properties of N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide?
N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide is sourced from PubChem (CID 27685933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).