2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide

C14H18N2O3S2 — CID 106012185

IUPAC2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2c(C)csc2CN)c1
InChIInChI=1S/C14H18N2O3S2/c1-3-19-12-6-4-5-11(7-12)16-21(17,18)14-10(2)9-20-13(14)8-15/h4-7,9,16H,3,8,15H2,1-2H3
InChIKeyQOGFVDTVHGBXMZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.71
Rot. Bonds6

About 2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide

2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide (PubChem CID 106012185) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide
PubChem CID106012185
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2c(C)csc2CN)c1
InChIInChI=1S/C14H18N2O3S2/c1-3-19-12-6-4-5-11(7-12)16-21(17,18)14-10(2)9-20-13(14)8-15/h4-7,9,16H,3,8,15H2,1-2H3
InChIKeyQOGFVDTVHGBXMZ-UHFFFAOYSA-N
XLogP2.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
CID 106071250
N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47310519
2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056298
5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 61125171
N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106012448
2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide
CID 106086480
3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358660
2-(aminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086886
2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 61126103
2-(ethylaminomethyl)-N-(3-fluorophenyl)-4-methylthiophene-3-sulfonamide
CID 106060584
5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 56796394
3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
CID 54967740

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide (CID 106012185) is 2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide is CCOc1cccc(NS(=O)(=O)c2c(C)csc2CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is QOGFVDTVHGBXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-3-19-12-6-4-5-11(7-12)16-21(17,18)14-10(2)9-20-13(14)8-15/h4-7,9,16H,3,8,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide?
2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106012185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).