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

C26H27N3O3S — CID 142032480

IUPAC6-(cyclopropylsulfamoyl)-2-methyl-N-[(4-phenylphenyl)methyl]-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccc(S(=O)(=O)NC3CC3)cc2N1C(=O)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H27N3O3S/c1-18-15-22-11-14-24(33(31,32)28-23-12-13-23)16-25(22)29(18)26(30)27-17-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-11,14,16,18,23,28H,12-13,15,17H2,1H3,(H,27,30)
InChIKeyCSQHKSQPKLHOFD-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.46
Rot. Bonds6

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

6-(cyclopropylsulfamoyl)-2-methyl-N-[(4-phenylphenyl)methyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 142032480) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 6-(cyclopropylsulfamoyl)-2-methyl-N-[(4-phenylphenyl)methyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylsulfamoyl)-2-methyl-N-[(4-phenylphenyl)methyl]-2,3-dihydroindole-1-carboxamide
PubChem CID142032480
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name6-(cyclopropylsulfamoyl)-2-methyl-N-[(4-phenylphenyl)methyl]-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccc(S(=O)(=O)NC3CC3)cc2N1C(=O)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H27N3O3S/c1-18-15-22-11-14-24(33(31,32)28-23-12-13-23)16-25(22)29(18)26(30)27-17-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-11,14,16,18,23,28H,12-13,15,17H2,1H3,(H,27,30)
InChIKeyCSQHKSQPKLHOFD-UHFFFAOYSA-N
XLogP4.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 42940847
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 142032448
N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108884531
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 109063192
N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110301242
N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 60605582
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 55846251
1-[(4-methylphenyl)methyl]-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]urea
CID 25041483
1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55508757
N-[4-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methylsulfamoyl]phenyl]acetamide
CID 95082961

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylsulfamoyl)-2-methyl-N-[(4-phenylphenyl)methyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-(cyclopropylsulfamoyl)-2-methyl-N-[(4-phenylphenyl)methyl]-2,3-dihydroindole-1-carboxamide (CID 142032480) is 6-(cyclopropylsulfamoyl)-2-methyl-N-[(4-phenylphenyl)methyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-(cyclopropylsulfamoyl)-2-methyl-N-[(4-phenylphenyl)methyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-(cyclopropylsulfamoyl)-2-methyl-N-[(4-phenylphenyl)methyl]-2,3-dihydroindole-1-carboxamide is CC1Cc2ccc(S(=O)(=O)NC3CC3)cc2N1C(=O)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-(cyclopropylsulfamoyl)-2-methyl-N-[(4-phenylphenyl)methyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is CSQHKSQPKLHOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-18-15-22-11-14-24(33(31,32)28-23-12-13-23)16-25(22)29(18)26(30)27-17-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-11,14,16,18,23,28H,12-13,15,17H2,1H3,(H,27,30).
What are the key properties of 6-(cyclopropylsulfamoyl)-2-methyl-N-[(4-phenylphenyl)methyl]-2,3-dihydroindole-1-carboxamide?
6-(cyclopropylsulfamoyl)-2-methyl-N-[(4-phenylphenyl)methyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 4.46, 6 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)methyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 142032480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).