4-ethoxy-N-(1H-indol-6-ylsulfonyl)-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide;molecular hydrogen

C30H35N3O4S — CID 162080618

IUPAC4-ethoxy-N-(1H-indol-6-ylsulfonyl)-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide;molecular hydrogen
SMILESCCOc1cccc2c1CN(Cc1c(C)cc(C)cc1C)C2(C)C(=O)NS(=O)(=O)c1ccc2cc[nH]c2c1.[H][H]
InChIInChI=1S/C30H33N3O4S.H2/c1-6-37-28-9-7-8-26-25(28)18-33(17-24-20(3)14-19(2)15-21(24)4)30(26,5)29(34)32-38(35,36)23-11-10-22-12-13-31-27(22)16-23;/h7-16,31H,6,17-18H2,1-5H3,(H,32,34);1H
InChIKeyZCHGEZVZJPXONG-UHFFFAOYSA-N
MW533.69 g/mol
LogP5.47
Rot. Bonds7

About 4-ethoxy-N-(1H-indol-6-ylsulfonyl)-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide;molecular hydrogen

4-ethoxy-N-(1H-indol-6-ylsulfonyl)-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide;molecular hydrogen (PubChem CID 162080618) has the molecular formula C30H35N3O4S and a molecular weight of 533.69 g/mol. Its IUPAC name is 4-ethoxy-N-(1H-indol-6-ylsulfonyl)-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-ethoxy-N-(1H-indol-6-ylsulfonyl)-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide;molecular hydrogen
PubChem CID162080618
Molecular FormulaC30H35N3O4S
Molecular Weight533.69 g/mol
Exact Mass533.23
IUPAC Name4-ethoxy-N-(1H-indol-6-ylsulfonyl)-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide;molecular hydrogen
SMILESCCOc1cccc2c1CN(Cc1c(C)cc(C)cc1C)C2(C)C(=O)NS(=O)(=O)c1ccc2cc[nH]c2c1.[H][H]
InChIInChI=1S/C30H33N3O4S.H2/c1-6-37-28-9-7-8-26-25(28)18-33(17-24-20(3)14-19(2)15-21(24)4)30(26,5)29(34)32-38(35,36)23-11-10-22-12-13-31-27(22)16-23;/h7-16,31H,6,17-18H2,1-5H3,(H,32,34);1H
InChIKeyZCHGEZVZJPXONG-UHFFFAOYSA-N
XLogP5.47
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.69
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-N-(1H-indol-6-ylsulfonyl)-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-(3-methoxyphenyl)sulfonyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide
CID 121253155
N-[(6-acetamido-2-pyridinyl)sulfonyl]-4-ethoxy-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide
CID 121252242
4-ethoxy-1-methyl-N-(1,3-thiazol-2-ylsulfonyl)-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide
CID 121251287
ethanesulfonic acid;methyl 1H-indole-6-carboxylate
CID 175802798
N-(benzenesulfonyl)-6-fluoro-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121252418
N-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide
CID 167001344
N-(4-aminophenyl)sulfonyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroisoindole-1-carboxamide;molecular hydrogen
CID 159288662
N-(3-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
CID 121252842
N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121251222
N-[2-ethoxy-5-[[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide
CID 58500082
acetic acid;ethane;6-propylsulfonyl-1H-indole
CID 91013520
1H-indole-6-sulfonic acid;hydrochloride
CID 174816871

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1H-indol-6-ylsulfonyl)-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide;molecular hydrogen?
The IUPAC name of 4-ethoxy-N-(1H-indol-6-ylsulfonyl)-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide;molecular hydrogen (CID 162080618) is 4-ethoxy-N-(1H-indol-6-ylsulfonyl)-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-ethoxy-N-(1H-indol-6-ylsulfonyl)-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide;molecular hydrogen?
The canonical SMILES for 4-ethoxy-N-(1H-indol-6-ylsulfonyl)-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide;molecular hydrogen is CCOc1cccc2c1CN(Cc1c(C)cc(C)cc1C)C2(C)C(=O)NS(=O)(=O)c1ccc2cc[nH]c2c1.[H][H].
What is the InChIKey of 4-ethoxy-N-(1H-indol-6-ylsulfonyl)-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide;molecular hydrogen?
The InChIKey is ZCHGEZVZJPXONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4S.H2/c1-6-37-28-9-7-8-26-25(28)18-33(17-24-20(3)14-19(2)15-21(24)4)30(26,5)29(34)32-38(35,36)23-11-10-22-12-13-31-27(22)16-23;/h7-16,31H,6,17-18H2,1-5H3,(H,32,34);1H.
What are the key properties of 4-ethoxy-N-(1H-indol-6-ylsulfonyl)-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide;molecular hydrogen?
4-ethoxy-N-(1H-indol-6-ylsulfonyl)-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide;molecular hydrogen has a molecular weight of 533.69 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1H-indol-6-ylsulfonyl)-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 162080618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).