N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide

C14H18N2O2S2 — CID 107215762

IUPACN-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccsc2CNC)cc1
InChIInChI=1S/C14H18N2O2S2/c1-3-11-4-6-12(7-5-11)16-20(17,18)14-8-9-19-13(14)10-15-2/h4-9,15-16H,3,10H2,1-2H3
InChIKeyHVKZVYYQSHAPEO-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.83
Rot. Bonds6

About N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide

N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 107215762) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID107215762
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccsc2CNC)cc1
InChIInChI=1S/C14H18N2O2S2/c1-3-11-4-6-12(7-5-11)16-20(17,18)14-8-9-19-13(14)10-15-2/h4-9,15-16H,3,10H2,1-2H3
InChIKeyHVKZVYYQSHAPEO-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-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059497
2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088650
N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107429534
N-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106067026
2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide
CID 114174631
N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106061353
N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106060779
2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide
CID 114142231
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106057534
N-(5-chloro-2-fluorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030361
N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114142024

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 107215762) is N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide is CCc1ccc(NS(=O)(=O)c2ccsc2CNC)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is HVKZVYYQSHAPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-3-11-4-6-12(7-5-11)16-20(17,18)14-8-9-19-13(14)10-15-2/h4-9,15-16H,3,10H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-(4-ethylphenyl)-2-(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-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 107215762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).