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

C14H18N2O3S2 — CID 106012448

IUPACN-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2cc(CNC)cs2)c1
InChIInChI=1S/C14H18N2O3S2/c1-3-19-13-6-4-5-12(8-13)16-21(17,18)14-7-11(9-15-2)10-20-14/h4-8,10,15-16H,3,9H2,1-2H3
InChIKeyUUKCXUQIOMCYJB-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.67
Rot. Bonds7

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

N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106012448) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106012448
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2cc(CNC)cs2)c1
InChIInChI=1S/C14H18N2O3S2/c1-3-19-13-6-4-5-12(8-13)16-21(17,18)14-7-11(9-15-2)10-20-14/h4-8,10,15-16H,3,9H2,1-2H3
InChIKeyUUKCXUQIOMCYJB-UHFFFAOYSA-N
XLogP2.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106060545
N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106002803
N-(4-fluorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106061799
5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide
CID 80578716
2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide
CID 106012185
N-(3-fluoro-4-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106030451
N-(3-bromo-4-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106070953
5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 39843156
N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106060490
5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 56796394
N-(3-ethoxyphenyl)-2-hydroxybenzenesulfonamide
CID 81241070
N-(3-fluorophenyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106060564

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (CID 106012448) is N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide is CCOc1cccc(NS(=O)(=O)c2cc(CNC)cs2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is UUKCXUQIOMCYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-3-19-13-6-4-5-12(8-13)16-21(17,18)14-7-11(9-15-2)10-20-14/h4-8,10,15-16H,3,9H2,1-2H3.
What are the key properties of N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106012448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).