4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide

C23H22N2O5S — CID 24993217

IUPAC4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc3c2N(S(=O)(=O)c2ccc(OC)cc2)CC3)cc1
InChIInChI=1S/C23H22N2O5S/c1-29-18-8-6-17(7-9-18)23(26)24-21-5-3-4-16-14-15-25(22(16)21)31(27,28)20-12-10-19(30-2)11-13-20/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyUPLLOWNVFYHXFL-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.71
Rot. Bonds6

About 4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide

4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide (PubChem CID 24993217) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is 4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
PubChem CID24993217
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc3c2N(S(=O)(=O)c2ccc(OC)cc2)CC3)cc1
InChIInChI=1S/C23H22N2O5S/c1-29-18-8-6-17(7-9-18)23(26)24-21-5-3-4-16-14-15-25(22(16)21)31(27,28)20-12-10-19(30-2)11-13-20/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyUPLLOWNVFYHXFL-UHFFFAOYSA-N
XLogP3.71
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide (CID 24993217) is 4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide is COc1ccc(C(=O)Nc2cccc3c2N(S(=O)(=O)c2ccc(OC)cc2)CC3)cc1.
What is the InChIKey of 4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide?
The InChIKey is UPLLOWNVFYHXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-29-18-8-6-17(7-9-18)23(26)24-21-5-3-4-16-14-15-25(22(16)21)31(27,28)20-12-10-19(30-2)11-13-20/h3-13H,14-15H2,1-2H3,(H,24,26).
What are the key properties of 4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide?
4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide has a molecular weight of 438.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide is sourced from PubChem (CID 24993217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).