1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide

C31H30N6O6S4 — CID 162085927

IUPAC1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCOc1ccccc1CC(=O)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21.O=S(=O)(Nc1nccs1)c1ccc2c(c1)CCN2
InChIInChI=1S/C20H19N3O4S2.C11H11N3O2S2/c1-27-18-5-3-2-4-15(18)13-19(24)23-10-8-14-12-16(6-7-17(14)23)29(25,26)22-20-21-9-11-28-20;15-18(16,14-11-13-5-6-17-11)9-1-2-10-8(7-9)3-4-12-10/h2-7,9,11-12H,8,10,13H2,1H3,(H,21,22);1-2,5-7,12H,3-4H2,(H,13,14)
InChIKeyZCYMMEUNDUTGIG-UHFFFAOYSA-N
MW710.89 g/mol
LogP5.00
Rot. Bonds9

About 1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide

1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 162085927) has the molecular formula C31H30N6O6S4 and a molecular weight of 710.89 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID162085927
Molecular FormulaC31H30N6O6S4
Molecular Weight710.89 g/mol
Exact Mass710.11
IUPAC Name1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCOc1ccccc1CC(=O)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21.O=S(=O)(Nc1nccs1)c1ccc2c(c1)CCN2
InChIInChI=1S/C20H19N3O4S2.C11H11N3O2S2/c1-27-18-5-3-2-4-15(18)13-19(24)23-10-8-14-12-16(6-7-17(14)23)29(25,26)22-20-21-9-11-28-20;15-18(16,14-11-13-5-6-17-11)9-1-2-10-8(7-9)3-4-12-10/h2-7,9,11-12H,8,10,13H2,1H3,(H,21,22);1-2,5-7,12H,3-4H2,(H,13,14)
InChIKeyZCYMMEUNDUTGIG-UHFFFAOYSA-N
XLogP5.00
TPSA159.69 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.89
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide with MolForge

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Related Compounds

1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 59432922
1-[2-(3-fluoro-4-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen
CID 159785532
1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen
CID 159369435
(4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate
CID 59432951
N-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 15950984
1-[3-(5-methylindol-1-yl)propanoyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 59432892
N-[(2-ethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100505396
1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853234
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 5322974
5-[(2-ethoxyphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058945
2-(2-methoxy-5-methylphenyl)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 18097874
3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28509857

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of 1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide (CID 162085927) is 1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for 1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide is COc1ccccc1CC(=O)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21.O=S(=O)(Nc1nccs1)c1ccc2c(c1)CCN2.
What is the InChIKey of 1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is ZCYMMEUNDUTGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S2.C11H11N3O2S2/c1-27-18-5-3-2-4-15(18)13-19(24)23-10-8-14-12-16(6-7-17(14)23)29(25,26)22-20-21-9-11-28-20;15-18(16,14-11-13-5-6-17-11)9-1-2-10-8(7-9)3-4-12-10/h2-7,9,11-12H,8,10,13H2,1H3,(H,21,22);1-2,5-7,12H,3-4H2,(H,13,14).
What are the key properties of 1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide?
1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 710.89 g/mol, XLogP of 5.00, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 162085927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).