N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide

C15H20N2O2S2 — CID 107287170

IUPACN-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(CCNC)s2)cc1
InChIInChI=1S/C15H20N2O2S2/c1-3-12-4-6-13(7-5-12)17-21(18,19)15-9-8-14(20-15)10-11-16-2/h4-9,16-17H,3,10-11H2,1-2H3
InChIKeyBERVILLCHQPNJV-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.87
Rot. Bonds7

About N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide

N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 107287170) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
PubChem CID107287170
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(CCNC)s2)cc1
InChIInChI=1S/C15H20N2O2S2/c1-3-12-4-6-13(7-5-12)17-21(18,19)15-9-8-14(20-15)10-11-16-2/h4-9,16-17H,3,10-11H2,1-2H3
InChIKeyBERVILLCHQPNJV-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate
CID 119045359
5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 106029593
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
N-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide
CID 47309319
5-ethyl-N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 61454703
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106054807
5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088598
N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106078895
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide (CID 107287170) is N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide is CCc1ccc(NS(=O)(=O)c2ccc(CCNC)s2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is BERVILLCHQPNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-3-12-4-6-13(7-5-12)17-21(18,19)15-9-8-14(20-15)10-11-16-2/h4-9,16-17H,3,10-11H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 107287170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).