N-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide

C23H29N3O3S — CID 53059167

IUPACN-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1
InChIInChI=1S/C23H29N3O3S/c1-17-6-5-7-18(14-17)16-24-30(28,29)21-10-11-22-19(15-21)12-13-26(22)23(27)25-20-8-3-2-4-9-20/h5-7,10-11,14-15,20,24H,2-4,8-9,12-13,16H2,1H3,(H,25,27)
InChIKeyVQNRHWOGRFPLBC-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.88
Rot. Bonds5

About N-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide

N-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 53059167) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide
PubChem CID53059167
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1
InChIInChI=1S/C23H29N3O3S/c1-17-6-5-7-18(14-17)16-24-30(28,29)21-10-11-22-19(15-21)12-13-26(22)23(27)25-20-8-3-2-4-9-20/h5-7,10-11,14-15,20,24H,2-4,8-9,12-13,16H2,1H3,(H,25,27)
InChIKeyVQNRHWOGRFPLBC-UHFFFAOYSA-N
XLogP3.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide
CID 53059177
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 46361259
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
N-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide
CID 53005223
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39984880
1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 100610018
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
N-cycloheptyl-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361186
N-[(4-methylphenyl)methyl]-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025447
N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide
CID 24736898
5-chloro-N-cyclohexyl-2,3-dihydroindole-1-carboxamide
CID 110747460

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide (CID 53059167) is N-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide is Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is VQNRHWOGRFPLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-17-6-5-7-18(14-17)16-24-30(28,29)21-10-11-22-19(15-21)12-13-26(22)23(27)25-20-8-3-2-4-9-20/h5-7,10-11,14-15,20,24H,2-4,8-9,12-13,16H2,1H3,(H,25,27).
What are the key properties of N-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide?
N-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 53059167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).