N-[3-[2-(2-methyl-4-pyridinyl)-4-oxo-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide

C20H17N3O3S2 — CID 56667018

IUPACN-[3-[2-(2-methyl-4-pyridinyl)-4-oxo-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide
SMILESCc1cc(-c2cc3c(=O)[nH]cc(-c4cccc(NS(C)(=O)=O)c4)c3s2)ccn1
InChIInChI=1S/C20H17N3O3S2/c1-12-8-14(6-7-21-12)18-10-16-19(27-18)17(11-22-20(16)24)13-4-3-5-15(9-13)23-28(2,25)26/h3-11,23H,1-2H3,(H,22,24)
InChIKeyQXYCBGLMDWLKAR-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.00
Rot. Bonds4

About N-[3-[2-(2-methyl-4-pyridinyl)-4-oxo-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide

N-[3-[2-(2-methyl-4-pyridinyl)-4-oxo-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide (PubChem CID 56667018) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[3-[2-(2-methyl-4-pyridinyl)-4-oxo-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(2-methyl-4-pyridinyl)-4-oxo-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide
PubChem CID56667018
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC NameN-[3-[2-(2-methyl-4-pyridinyl)-4-oxo-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide
SMILESCc1cc(-c2cc3c(=O)[nH]cc(-c4cccc(NS(C)(=O)=O)c4)c3s2)ccn1
InChIInChI=1S/C20H17N3O3S2/c1-12-8-14(6-7-21-12)18-10-16-19(27-18)17(11-22-20(16)24)13-4-3-5-15(9-13)23-28(2,25)26/h3-11,23H,1-2H3,(H,22,24)
InChIKeyQXYCBGLMDWLKAR-UHFFFAOYSA-N
XLogP4.00
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methyl-4-pyridinyl)-4-oxo-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-(2-methyl-4-pyridinyl)-4-oxo-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide (CID 56667018) is N-[3-[2-(2-methyl-4-pyridinyl)-4-oxo-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(2-methyl-4-pyridinyl)-4-oxo-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(2-methyl-4-pyridinyl)-4-oxo-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide is Cc1cc(-c2cc3c(=O)[nH]cc(-c4cccc(NS(C)(=O)=O)c4)c3s2)ccn1.
What is the InChIKey of N-[3-[2-(2-methyl-4-pyridinyl)-4-oxo-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide?
The InChIKey is QXYCBGLMDWLKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c1-12-8-14(6-7-21-12)18-10-16-19(27-18)17(11-22-20(16)24)13-4-3-5-15(9-13)23-28(2,25)26/h3-11,23H,1-2H3,(H,22,24).
What are the key properties of N-[3-[2-(2-methyl-4-pyridinyl)-4-oxo-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide?
N-[3-[2-(2-methyl-4-pyridinyl)-4-oxo-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide has a molecular weight of 411.51 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methyl-4-pyridinyl)-4-oxo-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 56667018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).