3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide

C15H20N2O2S2 — CID 60933451

IUPAC3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide
SMILESCc1cc(C(C)Nc2cccc(S(N)(=O)=O)c2C)c(C)s1
InChIInChI=1S/C15H20N2O2S2/c1-9-8-13(12(4)20-9)11(3)17-14-6-5-7-15(10(14)2)21(16,18)19/h5-8,11,17H,1-4H3,(H2,16,18,19)
InChIKeyLNJOZKFAGKFVML-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.49
Rot. Bonds4

About 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide

3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide (PubChem CID 60933451) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide
PubChem CID60933451
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide
SMILESCc1cc(C(C)Nc2cccc(S(N)(=O)=O)c2C)c(C)s1
InChIInChI=1S/C15H20N2O2S2/c1-9-8-13(12(4)20-9)11(3)17-14-6-5-7-15(10(14)2)21(16,18)19/h5-8,11,17H,1-4H3,(H2,16,18,19)
InChIKeyLNJOZKFAGKFVML-UHFFFAOYSA-N
XLogP3.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[4-(4-methylpiperazino)benzyl]-3-thiophenesulfonamide
CID 2738607
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]thiophene-2-sulfonamide
CID 4041614
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide
CID 4805360
(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 5992919
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 6074873
N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide
CID 5219048
2-{[4-(2-Methylphenyl)piperazinyl]sulfonyl}thiophene
CID 6470203
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-thiophen-2-ylethylamino)propanamide
CID 18532502
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 16324941
[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine
CID 43332876
[5-(2,3-Dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine
CID 43332884

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide?
The IUPAC name of 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide (CID 60933451) is 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide is Cc1cc(C(C)Nc2cccc(S(N)(=O)=O)c2C)c(C)s1.
What is the InChIKey of 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide?
The InChIKey is LNJOZKFAGKFVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-9-8-13(12(4)20-9)11(3)17-14-6-5-7-15(10(14)2)21(16,18)19/h5-8,11,17H,1-4H3,(H2,16,18,19).
What are the key properties of 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide?
3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 60933451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).