4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide

C15H20N2O2S2 — CID 62844597

IUPAC4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)NC(C)c2ccsc2)cc1
InChIInChI=1S/C15H20N2O2S2/c1-11(16-3)13-4-6-15(7-5-13)21(18,19)17-12(2)14-8-9-20-10-14/h4-12,16-17H,1-3H3
InChIKeyWTSZZROQEJXSOS-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.07
Rot. Bonds6

About 4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide

4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 62844597) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID62844597
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)NC(C)c2ccsc2)cc1
InChIInChI=1S/C15H20N2O2S2/c1-11(16-3)13-4-6-15(7-5-13)21(18,19)17-12(2)14-8-9-20-10-14/h4-12,16-17H,1-3H3
InChIKeyWTSZZROQEJXSOS-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 55130085
4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844441
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844268
2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide
CID 79203391
1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 62841313
4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43507020
N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 64586301
3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 116791823
2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 62841892
2-chloro-4-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 107090063
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 62844793

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide (CID 62844597) is 4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide is CNC(C)c1ccc(S(=O)(=O)NC(C)c2ccsc2)cc1.
What is the InChIKey of 4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is WTSZZROQEJXSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-11(16-3)13-4-6-15(7-5-13)21(18,19)17-12(2)14-8-9-20-10-14/h4-12,16-17H,1-3H3.
What are the key properties of 4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 62844597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).