N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]-N-methylthiophene-3-sulfonamide

C17H18N2O3S2 — CID 166521401

IUPACN-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]-N-methylthiophene-3-sulfonamide
SMILESCNCc1ccc(N(C)S(=O)(=O)c2ccsc2)c(-c2ccco2)c1
InChIInChI=1S/C17H18N2O3S2/c1-18-11-13-5-6-16(15(10-13)17-4-3-8-22-17)19(2)24(20,21)14-7-9-23-12-14/h3-10,12,18H,11H2,1-2H3
InChIKeyVDFQYCACTAGNOA-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.55
Rot. Bonds6

About N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]-N-methylthiophene-3-sulfonamide

N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]-N-methylthiophene-3-sulfonamide (PubChem CID 166521401) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]-N-methylthiophene-3-sulfonamide
PubChem CID166521401
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]-N-methylthiophene-3-sulfonamide
SMILESCNCc1ccc(N(C)S(=O)(=O)c2ccsc2)c(-c2ccco2)c1
InChIInChI=1S/C17H18N2O3S2/c1-18-11-13-5-6-16(15(10-13)17-4-3-8-22-17)19(2)24(20,21)14-7-9-23-12-14/h3-10,12,18H,11H2,1-2H3
InChIKeyVDFQYCACTAGNOA-UHFFFAOYSA-N
XLogP3.55
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]-N-methylthiophene-3-sulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]-N-methylthiophene-3-sulfonamide (CID 166521401) is N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]-N-methylthiophene-3-sulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]-N-methylthiophene-3-sulfonamide is CNCc1ccc(N(C)S(=O)(=O)c2ccsc2)c(-c2ccco2)c1.
What is the InChIKey of N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]-N-methylthiophene-3-sulfonamide?
The InChIKey is VDFQYCACTAGNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-18-11-13-5-6-16(15(10-13)17-4-3-8-22-17)19(2)24(20,21)14-7-9-23-12-14/h3-10,12,18H,11H2,1-2H3.
What are the key properties of N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]-N-methylthiophene-3-sulfonamide?
N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]-N-methylthiophene-3-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 166521401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).