N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide

C20H17N3O3S2 — CID 67819520

IUPACN-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2cc3ccccc3s2)nc(-c2ccccn2)c1
InChIInChI=1S/C20H17N3O3S2/c1-26-16-11-15(23-18(12-16)17-7-4-5-9-21-17)13-22-28(24,25)20-10-14-6-2-3-8-19(14)27-20/h2-12,22H,13H2,1H3
InChIKeyKXYDXSKPMVWCDY-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.85
Rot. Bonds6

About N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide

N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide (PubChem CID 67819520) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide
PubChem CID67819520
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC NameN-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2cc3ccccc3s2)nc(-c2ccccn2)c1
InChIInChI=1S/C20H17N3O3S2/c1-26-16-11-15(23-18(12-16)17-7-4-5-9-21-17)13-22-28(24,25)20-10-14-6-2-3-8-19(14)27-20/h2-12,22H,13H2,1H3
InChIKeyKXYDXSKPMVWCDY-UHFFFAOYSA-N
XLogP3.85
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide?
The IUPAC name of N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide (CID 67819520) is N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide?
The canonical SMILES for N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide is COc1cc(CNS(=O)(=O)c2cc3ccccc3s2)nc(-c2ccccn2)c1.
What is the InChIKey of N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide?
The InChIKey is KXYDXSKPMVWCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c1-26-16-11-15(23-18(12-16)17-7-4-5-9-21-17)13-22-28(24,25)20-10-14-6-2-3-8-19(14)27-20/h2-12,22H,13H2,1H3.
What are the key properties of N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide?
N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide has a molecular weight of 411.51 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 67819520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).