(E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide

C18H21N3O5S — CID 17461555

IUPAC(E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide
SMILESCC(C)C(NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)c1ccco1
InChIInChI=1S/C18H21N3O5S/c1-13(2)16(18(23)20-19-17(22)15-9-6-11-26-15)21-27(24,25)12-10-14-7-4-3-5-8-14/h3-13,16,21H,1-2H3,(H,19,22)(H,20,23)/b12-10+
InChIKeyABKNKLXSMNXSJP-ZRDIBKRKSA-N
MW391.45 g/mol
LogP1.66
Rot. Bonds7

About (E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide

(E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide (PubChem CID 17461555) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is (E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide
PubChem CID17461555
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name(E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide
SMILESCC(C)C(NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)c1ccco1
InChIInChI=1S/C18H21N3O5S/c1-13(2)16(18(23)20-19-17(22)15-9-6-11-26-15)21-27(24,25)12-10-14-7-4-3-5-8-14/h3-13,16,21H,1-2H3,(H,19,22)(H,20,23)/b12-10+
InChIKeyABKNKLXSMNXSJP-ZRDIBKRKSA-N
XLogP1.66
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide
CID 26003755
(E)-N-[1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide
CID 6218991
N'-(2-phenoxypropanoyl)furan-2-carbohydrazide
CID 3693666
(2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate
CID 42921231
(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
CID 24614418
methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]pentanoate
CID 42912941
(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide
CID 51169033
4-tert-butyl-N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9366689
N-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 31112019
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
methyl 4-[[(2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoyl]oxymethyl]benzoate
CID 18204954
N-(3-butoxypropyl)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
CID 42910795

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide (CID 17461555) is (E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide is CC(C)C(NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)c1ccco1.
What is the InChIKey of (E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide?
The InChIKey is ABKNKLXSMNXSJP-ZRDIBKRKSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-13(2)16(18(23)20-19-17(22)15-9-6-11-26-15)21-27(24,25)12-10-14-7-4-3-5-8-14/h3-13,16,21H,1-2H3,(H,19,22)(H,20,23)/b12-10+.
What are the key properties of (E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide?
(E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide is sourced from PubChem (CID 17461555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).