4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide

C18H20N2O2S — CID 17338009

IUPAC4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N/N=C/C(C)=C/c2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-3-16-9-11-18(12-10-16)23(21,22)20-19-14-15(2)13-17-7-5-4-6-8-17/h4-14,20H,3H2,1-2H3/b15-13+,19-14+
InChIKeyFIWCATNIMPKGJN-OIXOFKMYSA-N
MW328.44 g/mol
LogP3.62
Rot. Bonds6

About 4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide

4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide (PubChem CID 17338009) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
PubChem CID17338009
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N/N=C/C(C)=C/c2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-3-16-9-11-18(12-10-16)23(21,22)20-19-14-15(2)13-17-7-5-4-6-8-17/h4-14,20H,3H2,1-2H3/b15-13+,19-14+
InChIKeyFIWCATNIMPKGJN-OIXOFKMYSA-N
XLogP3.62
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 51061578
2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 6908700
2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51061440
4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide
CID 27484544
N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide
CID 125114108
N-[(E)-benzylideneamino]-4-(2-oxopropylamino)benzenesulfonamide
CID 6900166
3-(4-ethylphenyl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6383435
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
1-(4-ethylphenyl)sulfonyl-3-phenylthiourea
CID 955775
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
CID 45054186

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide (CID 17338009) is 4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide is CCc1ccc(S(=O)(=O)N/N=C/C(C)=C/c2ccccc2)cc1.
What is the InChIKey of 4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
The InChIKey is FIWCATNIMPKGJN-OIXOFKMYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-16-9-11-18(12-10-16)23(21,22)20-19-14-15(2)13-17-7-5-4-6-8-17/h4-14,20H,3H2,1-2H3/b15-13+,19-14+.
What are the key properties of 4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide is sourced from PubChem (CID 17338009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).