5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide

C15H20N2O2S2 — CID 106069990

IUPAC5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccsc2)c(C)cc1C
InChIInChI=1S/C15H20N2O2S2/c1-4-16-9-13-8-15(12(3)7-11(13)2)21(18,19)17-14-5-6-20-10-14/h5-8,10,16-17H,4,9H2,1-3H3
InChIKeyVLTPWWUVJPZQLB-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.28
Rot. Bonds6

About 5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide

5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 106069990) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide
PubChem CID106069990
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccsc2)c(C)cc1C
InChIInChI=1S/C15H20N2O2S2/c1-4-16-9-13-8-15(12(3)7-11(13)2)21(18,19)17-14-5-6-20-10-14/h5-8,10,16-17H,4,9H2,1-3H3
InChIKeyVLTPWWUVJPZQLB-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide
CID 106069892
2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106069862
3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide
CID 106070171
5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66351008
2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide
CID 106070165
2-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-3-sulfonamide
CID 114141600
5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066290
3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66352299
4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide
CID 114141603
5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106070077
1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 63001646
3-(propylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106070111

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide (CID 106069990) is 5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide is CCNCc1cc(S(=O)(=O)Nc2ccsc2)c(C)cc1C.
What is the InChIKey of 5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is VLTPWWUVJPZQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-4-16-9-13-8-15(12(3)7-11(13)2)21(18,19)17-14-5-6-20-10-14/h5-8,10,16-17H,4,9H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide?
5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 106069990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).