N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

C14H18N2O2S2 — CID 107531552

IUPACN-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1csc(CNC)c1
InChIInChI=1S/C14H18N2O2S2/c1-3-11-6-4-5-7-14(11)16-20(17,18)13-8-12(9-15-2)19-10-13/h4-8,10,15-16H,3,9H2,1-2H3
InChIKeyGVPLMEIJUQTNGM-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.83
Rot. Bonds6

About N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 107531552) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID107531552
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1csc(CNC)c1
InChIInChI=1S/C14H18N2O2S2/c1-3-11-6-4-5-7-14(11)16-20(17,18)13-8-12(9-15-2)19-10-13/h4-8,10,15-16H,3,9H2,1-2H3
InChIKeyGVPLMEIJUQTNGM-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076088
N-(4-bromo-2-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030519
5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030281
N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090340
N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106029596
5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056250
N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106075947
N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059386
N-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059695
5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide
CID 106069519
N-(2,3-dihydro-1H-inden-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106087840
N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 107522507

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 107531552) is N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is CCc1ccccc1NS(=O)(=O)c1csc(CNC)c1.
What is the InChIKey of N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is GVPLMEIJUQTNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-3-11-6-4-5-7-14(11)16-20(17,18)13-8-12(9-15-2)19-10-13/h4-8,10,15-16H,3,9H2,1-2H3.
What are the key properties of N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 107531552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).