2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone

C26H26N2O4S — CID 159859636

IUPAC2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone
SMILESCOc1cccc(S(=O)(=O)CC(=O)c2cc3ccccc3n2Cc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C26H26N2O4S/c1-17-12-18(2)21(19(3)13-17)15-28-22-9-6-5-8-20(22)14-23(28)24(29)16-33(30,31)26-11-7-10-25(27-26)32-4/h5-14H,15-16H2,1-4H3
InChIKeyNQYZGXFGRCWBDF-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.68
Rot. Bonds7

About 2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone

2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone (PubChem CID 159859636) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is 2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone.

Molecular Properties

Compound Name2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone
PubChem CID159859636
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC Name2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone
SMILESCOc1cccc(S(=O)(=O)CC(=O)c2cc3ccccc3n2Cc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C26H26N2O4S/c1-17-12-18(2)21(19(3)13-17)15-28-22-9-6-5-8-20(22)14-23(28)24(29)16-33(30,31)26-11-7-10-25(27-26)32-4/h5-14H,15-16H2,1-4H3
InChIKeyNQYZGXFGRCWBDF-UHFFFAOYSA-N
XLogP4.68
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone with MolForge

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Related Compounds

2-(3-methoxyphenyl)sulfonyl-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone
CID 158019812
N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121251964
CID 160990756
CID 160990756
N-(benzenesulfonyl)-6-fluoro-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121252418
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
1-[(8-methylnaphthalen-2-yl)methyl]indole-2-carboxylic acid
CID 23582813
2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972690
N-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121251851
N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121251222
1-[(5-methyl-3-pyridinyl)methyl]indole-2-carboxylic acid
CID 102881657
N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide
CID 174891130
1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide
CID 11056970

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone?
The IUPAC name of 2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone (CID 159859636) is 2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone.
What is the SMILES notation for 2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone?
The canonical SMILES for 2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone is COc1cccc(S(=O)(=O)CC(=O)c2cc3ccccc3n2Cc2c(C)cc(C)cc2C)n1.
What is the InChIKey of 2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone?
The InChIKey is NQYZGXFGRCWBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-17-12-18(2)21(19(3)13-17)15-28-22-9-6-5-8-20(22)14-23(28)24(29)16-33(30,31)26-11-7-10-25(27-26)32-4/h5-14H,15-16H2,1-4H3.
What are the key properties of 2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone?
2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone has a molecular weight of 462.57 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone is sourced from PubChem (CID 159859636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).