4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide

C14H16N2O2S2 — CID 21240194

IUPAC4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N/N=C/c2sccc2C)cc1
InChIInChI=1S/C14H16N2O2S2/c1-3-12-4-6-13(7-5-12)20(17,18)16-15-10-14-11(2)8-9-19-14/h4-10,16H,3H2,1-2H3/b15-10+
InChIKeyUEHXUJGDPXTLOV-XNTDXEJSSA-N
MW308.43 g/mol
LogP2.93
Rot. Bonds5

About 4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide

4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide (PubChem CID 21240194) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide
PubChem CID21240194
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N/N=C/c2sccc2C)cc1
InChIInChI=1S/C14H16N2O2S2/c1-3-12-4-6-13(7-5-12)20(17,18)16-15-10-14-11(2)8-9-19-14/h4-10,16H,3H2,1-2H3/b15-10+
InChIKeyUEHXUJGDPXTLOV-XNTDXEJSSA-N
XLogP2.93
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
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'}

Analyze 4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide
CID 110518160
4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide
CID 27484544
4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide
CID 2825089
(NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide
CID 110518897
N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
CID 6385345
N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517514
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide
CID 6873587
N,N-diethyl-4-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4059876
4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 17338009
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680
4-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6043053
4-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4230490

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide (CID 21240194) is 4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide is CCc1ccc(S(=O)(=O)N/N=C/c2sccc2C)cc1.
What is the InChIKey of 4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide?
The InChIKey is UEHXUJGDPXTLOV-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-3-12-4-6-13(7-5-12)20(17,18)16-15-10-14-11(2)8-9-19-14/h4-10,16H,3H2,1-2H3/b15-10+.
What are the key properties of 4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide?
4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide has a molecular weight of 308.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 21240194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).