2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide

C18H19N3O3S — CID 51061440

IUPAC2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-15(12-16-8-4-2-5-9-16)13-19-21-18(22)14-20-25(23,24)17-10-6-3-7-11-17/h2-13,20H,14H2,1H3,(H,21,22)/b15-12-,19-13+
InChIKeyNPXNKRJGJRIKPV-WAZQMIMHSA-N
MW357.44 g/mol
LogP2.17
Rot. Bonds7

About 2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide

2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 51061440) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID51061440
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-15(12-16-8-4-2-5-9-16)13-19-21-18(22)14-20-25(23,24)17-10-6-3-7-11-17/h2-13,20H,14H2,1H3,(H,21,22)/b15-12-,19-13+
InChIKeyNPXNKRJGJRIKPV-WAZQMIMHSA-N
XLogP2.17
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide
CID 44592036
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
4-methyl-N-[2-[(2E)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 45054169
4-[[2-[(2E)-2-benzylidenehydrazinyl]-2-oxoethyl]sulfamoyl]benzoic acid
CID 89116773
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
CID 45054186
2-bromo-N-[2-[2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 129441190
4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 17338009
2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 4521750
3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 3604204
4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 51061578

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (CID 51061440) is 2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is CC(=C/c1ccccc1)/C=N/NC(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is NPXNKRJGJRIKPV-WAZQMIMHSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-15(12-16-8-4-2-5-9-16)13-19-21-18(22)14-20-25(23,24)17-10-6-3-7-11-17/h2-13,20H,14H2,1H3,(H,21,22)/b15-12-,19-13+.
What are the key properties of 2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 51061440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).