6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide

C25H25N3O3S — CID 135204721

IUPAC6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccc(S(=O)(=O)NC3CC3)cc2N1C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3S/c1-17-15-20-9-14-23(32(30,31)27-22-12-13-22)16-24(20)28(17)25(29)26-21-10-7-19(8-11-21)18-5-3-2-4-6-18/h2-11,14,16-17,22,27H,12-13,15H2,1H3,(H,26,29)
InChIKeyLTMXLKPCCIRJGN-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.78
Rot. Bonds5

About 6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide

6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 135204721) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide
PubChem CID135204721
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccc(S(=O)(=O)NC3CC3)cc2N1C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3S/c1-17-15-20-9-14-23(32(30,31)27-22-12-13-22)16-24(20)28(17)25(29)26-21-10-7-19(8-11-21)18-5-3-2-4-6-18/h2-11,14,16-17,22,27H,12-13,15H2,1H3,(H,26,29)
InChIKeyLTMXLKPCCIRJGN-UHFFFAOYSA-N
XLogP4.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide (CID 135204721) is 6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide is CC1Cc2ccc(S(=O)(=O)NC3CC3)cc2N1C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is LTMXLKPCCIRJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-17-15-20-9-14-23(32(30,31)27-22-12-13-22)16-24(20)28(17)25(29)26-21-10-7-19(8-11-21)18-5-3-2-4-6-18/h2-11,14,16-17,22,27H,12-13,15H2,1H3,(H,26,29).
What are the key properties of 6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide?
6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 135204721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).