N-[(2-methoxy-3-pyridinyl)sulfonyl]-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide

C26H29N3O4S — CID 121251536

IUPACN-[(2-methoxy-3-pyridinyl)sulfonyl]-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide
SMILESCOc1ncccc1S(=O)(=O)NC(=O)C1(C)c2ccccc2CN1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C26H29N3O4S/c1-17-13-18(2)21(19(3)14-17)16-29-15-20-9-6-7-10-22(20)26(29,4)25(30)28-34(31,32)23-11-8-12-27-24(23)33-5/h6-14H,15-16H2,1-5H3,(H,28,30)
InChIKeyITATYKJGQBBNCK-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.75
Rot. Bonds6

About N-[(2-methoxy-3-pyridinyl)sulfonyl]-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide

N-[(2-methoxy-3-pyridinyl)sulfonyl]-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide (PubChem CID 121251536) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)sulfonyl]-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)sulfonyl]-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide
PubChem CID121251536
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC NameN-[(2-methoxy-3-pyridinyl)sulfonyl]-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide
SMILESCOc1ncccc1S(=O)(=O)NC(=O)C1(C)c2ccccc2CN1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C26H29N3O4S/c1-17-13-18(2)21(19(3)14-17)16-29-15-20-9-6-7-10-22(20)26(29,4)25(30)28-34(31,32)23-11-8-12-27-24(23)33-5/h6-14H,15-16H2,1-5H3,(H,28,30)
InChIKeyITATYKJGQBBNCK-UHFFFAOYSA-N
XLogP3.75
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-methoxy-3-pyridinyl)sulfonyl]-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide with MolForge

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Related Compounds

4-ethoxy-N-(3-methoxyphenyl)sulfonyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide
CID 121253155
4-ethoxy-1-methyl-N-(1,3-thiazol-2-ylsulfonyl)-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide
CID 121251287
N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-(2,2,3-trimethylpyrrolidin-1-yl)quinoline-3-carboxamide
CID 175515453
N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide
CID 121252772
3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121251673
2-methoxy-3-(trifluoromethylsulfonyl)pyridine
CID 67361134
N-[(2-ethoxy-3-pyridinyl)sulfonyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 155960440
3,3-dimethyl-N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-2-[(2,4,6-trimethylphenyl)methyl]-1H-isoindole-1-carboxamide
CID 159042245
N-(4-aminophenyl)sulfonyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroisoindole-1-carboxamide;molecular hydrogen
CID 159288662
N-(benzenesulfonyl)-3-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121250562
N-[(6-amino-2-pyridinyl)sulfonyl]-5-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 121251980
N-(2-methoxy-3-pyridinyl)-3-methylquinoline-8-sulfonamide
CID 47038312

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)sulfonyl]-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)sulfonyl]-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide (CID 121251536) is N-[(2-methoxy-3-pyridinyl)sulfonyl]-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)sulfonyl]-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)sulfonyl]-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide is COc1ncccc1S(=O)(=O)NC(=O)C1(C)c2ccccc2CN1Cc1c(C)cc(C)cc1C.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)sulfonyl]-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide?
The InChIKey is ITATYKJGQBBNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-17-13-18(2)21(19(3)14-17)16-29-15-20-9-6-7-10-22(20)26(29,4)25(30)28-34(31,32)23-11-8-12-27-24(23)33-5/h6-14H,15-16H2,1-5H3,(H,28,30).
What are the key properties of N-[(2-methoxy-3-pyridinyl)sulfonyl]-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide?
N-[(2-methoxy-3-pyridinyl)sulfonyl]-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)sulfonyl]-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide is sourced from PubChem (CID 121251536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).