1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen

C20H22N4O4S2 — CID 159369435

IUPAC1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen
SMILESCOc1cccc(NCC(=O)N2CCc3cc(S(=O)(=O)Nc4nccs4)ccc32)c1.[H][H]
InChIInChI=1S/C20H20N4O4S2.H2/c1-28-16-4-2-3-15(12-16)22-13-19(25)24-9-7-14-11-17(5-6-18(14)24)30(26,27)23-20-21-8-10-29-20;/h2-6,8,10-12,22H,7,9,13H2,1H3,(H,21,23);1H
InChIKeyLJODBGFOZUZRMY-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.20
Rot. Bonds7

About 1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen

1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen (PubChem CID 159369435) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen.

Molecular Properties

Compound Name1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen
PubChem CID159369435
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC Name1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen
SMILESCOc1cccc(NCC(=O)N2CCc3cc(S(=O)(=O)Nc4nccs4)ccc32)c1.[H][H]
InChIInChI=1S/C20H20N4O4S2.H2/c1-28-16-4-2-3-15(12-16)22-13-19(25)24-9-7-14-11-17(5-6-18(14)24)30(26,27)23-20-21-8-10-29-20;/h2-6,8,10-12,22H,7,9,13H2,1H3,(H,21,23);1H
InChIKeyLJODBGFOZUZRMY-UHFFFAOYSA-N
XLogP3.20
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;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

1-[2-(3-fluoro-4-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen
CID 159785532
N-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 15950984
1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 59432922
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
(4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate
CID 59432951
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone
CID 55542143
1-[3-(5-methylindol-1-yl)propanoyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 59432892
2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide
CID 16665833
3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 114263537
2-(3-methoxyphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 43910258
1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone
CID 54825093
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen?
The IUPAC name of 1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen (CID 159369435) is 1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen.
What is the SMILES notation for 1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen?
The canonical SMILES for 1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen is COc1cccc(NCC(=O)N2CCc3cc(S(=O)(=O)Nc4nccs4)ccc32)c1.[H][H].
What is the InChIKey of 1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen?
The InChIKey is LJODBGFOZUZRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2.H2/c1-28-16-4-2-3-15(12-16)22-13-19(25)24-9-7-14-11-17(5-6-18(14)24)30(26,27)23-20-21-8-10-29-20;/h2-6,8,10-12,22H,7,9,13H2,1H3,(H,21,23);1H.
What are the key properties of 1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen?
1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen has a molecular weight of 446.55 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen is sourced from PubChem (CID 159369435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).