4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C14H18N2O2S2 — CID 79588588

IUPAC4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C14H18N2O2S2/c1-10-8-12(15)9-11(2)14(10)20(17,18)16-6-5-13-4-3-7-19-13/h3-4,7-9,16H,5-6,15H2,1-2H3
InChIKeyARIMKVGILAWZMF-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.47
Rot. Bonds5

About 4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 79588588) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID79588588
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C14H18N2O2S2/c1-10-8-12(15)9-11(2)14(10)20(17,18)16-6-5-13-4-3-7-19-13/h3-4,7-9,16H,5-6,15H2,1-2H3
InChIKeyARIMKVGILAWZMF-UHFFFAOYSA-N
XLogP2.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-bromo-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 114624888
4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79588681
5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43662942
5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 79931997
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837
4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 79570352
4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 47316710
2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43257668
N-[2-methyl-4-(2-thiophen-2-ylethylsulfamoyl)phenyl]acetamide
CID 58962527
4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 79589376
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 18801910
ethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate
CID 20927359

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 79588588) is 4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)NCCc1cccs1.
What is the InChIKey of 4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is ARIMKVGILAWZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-10-8-12(15)9-11(2)14(10)20(17,18)16-6-5-13-4-3-7-19-13/h3-4,7-9,16H,5-6,15H2,1-2H3.
What are the key properties of 4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 79588588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).