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

C25H21N3O4S2 — CID 73294933

IUPAC3-methoxy-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cncc(-c3ccc(-c4ccc5c(c4)CN(C)C5=O)s3)c2)c1
InChIInChI=1S/C25H21N3O4S2/c1-28-15-18-10-16(6-7-22(18)25(28)29)23-8-9-24(33-23)17-11-19(14-26-13-17)27-34(30,31)21-5-3-4-20(12-21)32-2/h3-14,27H,15H2,1-2H3
InChIKeyPWGQCZZPSXKYBE-UHFFFAOYSA-N
MW491.59 g/mol
LogP4.87
Rot. Bonds6

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

3-methoxy-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 73294933) has the molecular formula C25H21N3O4S2 and a molecular weight of 491.59 g/mol. Its IUPAC name is 3-methoxy-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID73294933
Molecular FormulaC25H21N3O4S2
Molecular Weight491.59 g/mol
Exact Mass491.10
IUPAC Name3-methoxy-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cncc(-c3ccc(-c4ccc5c(c4)CN(C)C5=O)s3)c2)c1
InChIInChI=1S/C25H21N3O4S2/c1-28-15-18-10-16(6-7-22(18)25(28)29)23-8-9-24(33-23)17-11-19(14-26-13-17)27-34(30,31)21-5-3-4-20(12-21)32-2/h3-14,27H,15H2,1-2H3
InChIKeyPWGQCZZPSXKYBE-UHFFFAOYSA-N
XLogP4.87
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide (CID 73294933) is 3-methoxy-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide is COc1cccc(S(=O)(=O)Nc2cncc(-c3ccc(-c4ccc5c(c4)CN(C)C5=O)s3)c2)c1.
What is the InChIKey of 3-methoxy-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is PWGQCZZPSXKYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4S2/c1-28-15-18-10-16(6-7-22(18)25(28)29)23-8-9-24(33-23)17-11-19(14-26-13-17)27-34(30,31)21-5-3-4-20(12-21)32-2/h3-14,27H,15H2,1-2H3.
What are the key properties of 3-methoxy-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?
3-methoxy-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 491.59 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 73294933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).