2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-naphthalen-2-ylsulfonylbenzamide

C28H24N2O4S — CID 162648592

IUPAC2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-naphthalen-2-ylsulfonylbenzamide
SMILESCOc1ccc(Cc2cn(C)c3ccccc23)cc1C(=O)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C28H24N2O4S/c1-30-18-22(24-9-5-6-10-26(24)30)15-19-11-14-27(34-2)25(16-19)28(31)29-35(32,33)23-13-12-20-7-3-4-8-21(20)17-23/h3-14,16-18H,15H2,1-2H3,(H,29,31)
InChIKeyLPEYJXLQRLJTKG-UHFFFAOYSA-N
MW484.58 g/mol
LogP5.05
Rot. Bonds6

About 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-naphthalen-2-ylsulfonylbenzamide

2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-naphthalen-2-ylsulfonylbenzamide (PubChem CID 162648592) has the molecular formula C28H24N2O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-naphthalen-2-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-naphthalen-2-ylsulfonylbenzamide
PubChem CID162648592
Molecular FormulaC28H24N2O4S
Molecular Weight484.58 g/mol
Exact Mass484.15
IUPAC Name2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-naphthalen-2-ylsulfonylbenzamide
SMILESCOc1ccc(Cc2cn(C)c3ccccc23)cc1C(=O)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C28H24N2O4S/c1-30-18-22(24-9-5-6-10-26(24)30)15-19-11-14-27(34-2)25(16-19)28(31)29-35(32,33)23-13-12-20-7-3-4-8-21(20)17-23/h3-14,16-18H,15H2,1-2H3,(H,29,31)
InChIKeyLPEYJXLQRLJTKG-UHFFFAOYSA-N
XLogP5.05
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-naphthalen-2-ylsulfonylbenzamide?
The IUPAC name of 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-naphthalen-2-ylsulfonylbenzamide (CID 162648592) is 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-naphthalen-2-ylsulfonylbenzamide.
What is the SMILES notation for 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-naphthalen-2-ylsulfonylbenzamide?
The canonical SMILES for 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-naphthalen-2-ylsulfonylbenzamide is COc1ccc(Cc2cn(C)c3ccccc23)cc1C(=O)NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-naphthalen-2-ylsulfonylbenzamide?
The InChIKey is LPEYJXLQRLJTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O4S/c1-30-18-22(24-9-5-6-10-26(24)30)15-19-11-14-27(34-2)25(16-19)28(31)29-35(32,33)23-13-12-20-7-3-4-8-21(20)17-23/h3-14,16-18H,15H2,1-2H3,(H,29,31).
What are the key properties of 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-naphthalen-2-ylsulfonylbenzamide?
2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-naphthalen-2-ylsulfonylbenzamide has a molecular weight of 484.58 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-naphthalen-2-ylsulfonylbenzamide is sourced from PubChem (CID 162648592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).