N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide

C15H20N2O2S2 — CID 106060359

IUPACN-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C15H20N2O2S2/c1-4-16-9-13-8-15(20-10-13)21(18,19)17-14-6-5-11(2)7-12(14)3/h5-8,10,16-17H,4,9H2,1-3H3
InChIKeyOTKXLKGPFLNGDE-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.28
Rot. Bonds6

About N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide

N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106060359) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
PubChem CID106060359
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C15H20N2O2S2/c1-4-16-9-13-8-15(20-10-13)21(18,19)17-14-6-5-11(2)7-12(14)3/h5-8,10,16-17H,4,9H2,1-3H3
InChIKeyOTKXLKGPFLNGDE-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

4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide
CID 106018431
4-(ethylaminomethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 106070490
N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106076005
4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074851
N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106067102
N-(3-bromo-2-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106062188
4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide
CID 79356541
N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106061246
4-(ethylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106051103
4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide
CID 106056783
N-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide
CID 91969488
5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide
CID 80578616

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide (CID 106060359) is N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide is CCNCc1csc(S(=O)(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is OTKXLKGPFLNGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-4-16-9-13-8-15(20-10-13)21(18,19)17-14-6-5-11(2)7-12(14)3/h5-8,10,16-17H,4,9H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide?
N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide 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 N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106060359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).