N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide

C12H14N2O3S2 — CID 53185045

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCOc1ncccc1CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H14N2O3S2/c1-14(19(15,16)11-6-4-8-18-11)9-10-5-3-7-13-12(10)17-2/h3-8H,9H2,1-2H3
InChIKeyRLMAONDURKPHHT-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.97
Rot. Bonds5

About N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide

N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 53185045) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID53185045
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCOc1ncccc1CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H14N2O3S2/c1-14(19(15,16)11-6-4-8-18-11)9-10-5-3-7-13-12(10)17-2/h3-8H,9H2,1-2H3
InChIKeyRLMAONDURKPHHT-UHFFFAOYSA-N
XLogP1.97
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide (CID 53185045) is N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide is COc1ncccc1CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is RLMAONDURKPHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-14(19(15,16)11-6-4-8-18-11)9-10-5-3-7-13-12(10)17-2/h3-8H,9H2,1-2H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide?
N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 53185045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).