(4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate

C19H17N3O4S2 — CID 59432951

IUPAC(4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate
SMILESCc1ccc(OC(=O)N2CCc3cc(S(=O)(=O)Nc4nccs4)ccc32)cc1
InChIInChI=1S/C19H17N3O4S2/c1-13-2-4-15(5-3-13)26-19(23)22-10-8-14-12-16(6-7-17(14)22)28(24,25)21-18-20-9-11-27-18/h2-7,9,11-12H,8,10H2,1H3,(H,20,21)
InChIKeyDJCDQSNTXLDLFP-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.81
Rot. Bonds4

About (4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate

(4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate (PubChem CID 59432951) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is (4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate
PubChem CID59432951
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC Name(4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate
SMILESCc1ccc(OC(=O)N2CCc3cc(S(=O)(=O)Nc4nccs4)ccc32)cc1
InChIInChI=1S/C19H17N3O4S2/c1-13-2-4-15(5-3-13)26-19(23)22-10-8-14-12-16(6-7-17(14)22)28(24,25)21-18-20-9-11-27-18/h2-7,9,11-12H,8,10H2,1H3,(H,20,21)
InChIKeyDJCDQSNTXLDLFP-UHFFFAOYSA-N
XLogP3.81
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(5-methylindol-1-yl)propanoyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 59432892
1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 59432922
1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen
CID 159369435
N-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 15950984
1-[2-(3-fluoro-4-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen
CID 159785532
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
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 5322974
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
(4-methylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate
CID 26526945
5-[(4-methylphenyl)sulfamoyl]-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059050
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
1-acetyl-N-(2-thiophen-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 17469301

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate?
The IUPAC name of (4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate (CID 59432951) is (4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for (4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for (4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate is Cc1ccc(OC(=O)N2CCc3cc(S(=O)(=O)Nc4nccs4)ccc32)cc1.
What is the InChIKey of (4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate?
The InChIKey is DJCDQSNTXLDLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-13-2-4-15(5-3-13)26-19(23)22-10-8-14-12-16(6-7-17(14)22)28(24,25)21-18-20-9-11-27-18/h2-7,9,11-12H,8,10H2,1H3,(H,20,21).
What are the key properties of (4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate?
(4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate has a molecular weight of 415.50 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 59432951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).