N-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]methanesulfonamide

C20H19N3O4S2 — CID 90042326

IUPACN-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc(-c3ccc4c(c3)CN(C)C4=O)s2)cc1NS(C)(=O)=O
InChIInChI=1S/C20H19N3O4S2/c1-23-11-14-8-12(4-5-15(14)20(23)24)17-6-7-18(28-17)13-9-16(22-29(3,25)26)19(27-2)21-10-13/h4-10,22H,11H2,1-3H3
InChIKeyONXMQOHPQHFSSX-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.44
Rot. Bonds5

About N-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]methanesulfonamide

N-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 90042326) has the molecular formula C20H19N3O4S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]methanesulfonamide
PubChem CID90042326
Molecular FormulaC20H19N3O4S2
Molecular Weight429.52 g/mol
Exact Mass429.08
IUPAC NameN-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc(-c3ccc4c(c3)CN(C)C4=O)s2)cc1NS(C)(=O)=O
InChIInChI=1S/C20H19N3O4S2/c1-23-11-14-8-12(4-5-15(14)20(23)24)17-6-7-18(28-17)13-9-16(22-29(3,25)26)19(27-2)21-10-13/h4-10,22H,11H2,1-3H3
InChIKeyONXMQOHPQHFSSX-UHFFFAOYSA-N
XLogP3.44
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]methanesulfonamide (CID 90042326) is N-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]methanesulfonamide is COc1ncc(-c2ccc(-c3ccc4c(c3)CN(C)C4=O)s2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is ONXMQOHPQHFSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S2/c1-23-11-14-8-12(4-5-15(14)20(23)24)17-6-7-18(28-17)13-9-16(22-29(3,25)26)19(27-2)21-10-13/h4-10,22H,11H2,1-3H3.
What are the key properties of N-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]methanesulfonamide?
N-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 429.52 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 90042326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).