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

C16H16N2O3S2 — CID 166521377

IUPACN-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide
SMILESCN(c1ccc(CN)cc1-c1ccco1)S(=O)(=O)c1ccsc1
InChIInChI=1S/C16H16N2O3S2/c1-18(23(19,20)13-6-8-22-11-13)15-5-4-12(10-17)9-14(15)16-3-2-7-21-16/h2-9,11H,10,17H2,1H3
InChIKeyPMZIBOXRBKLIBI-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.29
Rot. Bonds5

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

N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide (PubChem CID 166521377) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide
PubChem CID166521377
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC NameN-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide
SMILESCN(c1ccc(CN)cc1-c1ccco1)S(=O)(=O)c1ccsc1
InChIInChI=1S/C16H16N2O3S2/c1-18(23(19,20)13-6-8-22-11-13)15-5-4-12(10-17)9-14(15)16-3-2-7-21-16/h2-9,11H,10,17H2,1H3
InChIKeyPMZIBOXRBKLIBI-UHFFFAOYSA-N
XLogP3.29
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide (CID 166521377) is N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide is CN(c1ccc(CN)cc1-c1ccco1)S(=O)(=O)c1ccsc1.
What is the InChIKey of N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide?
The InChIKey is PMZIBOXRBKLIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-18(23(19,20)13-6-8-22-11-13)15-5-4-12(10-17)9-14(15)16-3-2-7-21-16/h2-9,11H,10,17H2,1H3.
What are the key properties of N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide?
N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 166521377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).