N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide

C18H21N3O2S2 — CID 3383184

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)N1CCc2ccccc21
InChIInChI=1S/C18H21N3O2S2/c1-13-8-9-15(25(22,23)20(2)3)12-16(13)19-18(24)21-11-10-14-6-4-5-7-17(14)21/h4-9,12H,10-11H2,1-3H3,(H,19,24)
InChIKeyVANMGDKLUBHVAW-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.00
Rot. Bonds3

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide (PubChem CID 3383184) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide
PubChem CID3383184
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)N1CCc2ccccc21
InChIInChI=1S/C18H21N3O2S2/c1-13-8-9-15(25(22,23)20(2)3)12-16(13)19-18(24)21-11-10-14-6-4-5-7-17(14)21/h4-9,12H,10-11H2,1-3H3,(H,19,24)
InChIKeyVANMGDKLUBHVAW-UHFFFAOYSA-N
XLogP3.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide (CID 3383184) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)N1CCc2ccccc21.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide?
The InChIKey is VANMGDKLUBHVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-13-8-9-15(25(22,23)20(2)3)12-16(13)19-18(24)21-11-10-14-6-4-5-7-17(14)21/h4-9,12H,10-11H2,1-3H3,(H,19,24).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide has a molecular weight of 375.52 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide is sourced from PubChem (CID 3383184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).