N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide

C14H18N2O3S2 — CID 106003238

IUPACN-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)Nc2ccccc2COC)c1
InChIInChI=1S/C14H18N2O3S2/c1-15-8-11-7-14(20-10-11)21(17,18)16-13-6-4-3-5-12(13)9-19-2/h3-7,10,15-16H,8-9H2,1-2H3
InChIKeySFFLRMQVIZRYPA-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.41
Rot. Bonds7

About N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide

N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106003238) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106003238
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)Nc2ccccc2COC)c1
InChIInChI=1S/C14H18N2O3S2/c1-15-8-11-7-14(20-10-11)21(17,18)16-13-6-4-3-5-12(13)9-19-2/h3-7,10,15-16H,8-9H2,1-2H3
InChIKeySFFLRMQVIZRYPA-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106002803
N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087225
N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106067208
N-(2-fluoro-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071824
N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106056729
N-[2-(methoxymethyl)phenyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106003230
N-(4-fluorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106061799
N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106060545
N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106061246
N-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106076061
N-(3-fluoro-4-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106030451
N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106012448

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide (CID 106003238) is N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)Nc2ccccc2COC)c1.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is SFFLRMQVIZRYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-15-8-11-7-14(20-10-11)21(17,18)16-13-6-4-3-5-12(13)9-19-2/h3-7,10,15-16H,8-9H2,1-2H3.
What are the key properties of N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide?
N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106003238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).