N-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide

C14H18N2O3S2 — CID 106044813

IUPACN-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)Nc2ccccc2OC)cc1C
InChIInChI=1S/C14H18N2O3S2/c1-10-8-14(20-13(10)9-15-2)21(17,18)16-11-6-4-5-7-12(11)19-3/h4-8,15-16H,9H2,1-3H3
InChIKeyNTILFHWECQWKRM-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.59
Rot. Bonds6

About N-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide

N-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106044813) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106044813
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)Nc2ccccc2OC)cc1C
InChIInChI=1S/C14H18N2O3S2/c1-10-8-14(20-13(10)9-15-2)21(17,18)16-11-6-4-5-7-12(11)19-3/h4-8,15-16H,9H2,1-3H3
InChIKeyNTILFHWECQWKRM-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106057338
N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106031041
N-(5-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106031146
N-(2,5-dibromophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106007099
4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide
CID 114141603
N-(2-methoxyphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106044765
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
N-(2-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947495
N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087894
3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide
CID 115421139
5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119502214
5-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)-4-methylthiophene-2-sulfonamide
CID 106076647

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide (CID 106044813) is N-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1sc(S(=O)(=O)Nc2ccccc2OC)cc1C.
What is the InChIKey of N-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is NTILFHWECQWKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-10-8-14(20-13(10)9-15-2)21(17,18)16-11-6-4-5-7-12(11)19-3/h4-8,15-16H,9H2,1-3H3.
What are the key properties of N-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
N-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106044813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).