N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide

C14H18N2O3S2 — CID 106002803

IUPACN-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)Nc2cccc(COC)c2)c1
InChIInChI=1S/C14H18N2O3S2/c1-15-8-12-7-14(20-10-12)21(17,18)16-13-5-3-4-11(6-13)9-19-2/h3-7,10,15-16H,8-9H2,1-2H3
InChIKeyKFUXKVJGFNRVRH-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.41
Rot. Bonds7

About N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide

N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106002803) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106002803
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)Nc2cccc(COC)c2)c1
InChIInChI=1S/C14H18N2O3S2/c1-15-8-12-7-14(20-10-12)21(17,18)16-13-5-3-4-11(6-13)9-19-2/h3-7,10,15-16H,8-9H2,1-2H3
InChIKeyKFUXKVJGFNRVRH-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-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106060545
N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106012448
N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106003238
N-(3-fluoro-4-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106030451
N-(4-fluorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106061799
N-(3-bromo-4-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106070953
N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106060490
N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087225
N-(3-fluorophenyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106060564
N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide
CID 95050814
N-(2-fluoro-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071824
N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106067208

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide (CID 106002803) is N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)Nc2cccc(COC)c2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is KFUXKVJGFNRVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-15-8-12-7-14(20-10-12)21(17,18)16-13-5-3-4-11(6-13)9-19-2/h3-7,10,15-16H,8-9H2,1-2H3.
What are the key properties of N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide?
N-[3-(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-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106002803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).