6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole

C20H33N3O2S — CID 166910693

IUPAC6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole
SMILESCC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C20H33N3O2S/c1-15(2)13-23-14-16(10-11-21-26(24,25)22(6)7)18-9-8-17(12-19(18)23)20(3,4)5/h8-9,12,14-15,21H,10-11,13H2,1-7H3
InChIKeyWAHLHCCNJKGPSN-UHFFFAOYSA-N
MW379.57 g/mol
LogP3.53
Rot. Bonds7

About 6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole

6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole (PubChem CID 166910693) has the molecular formula C20H33N3O2S and a molecular weight of 379.57 g/mol. Its IUPAC name is 6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole.

Molecular Properties

Compound Name6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole
PubChem CID166910693
Molecular FormulaC20H33N3O2S
Molecular Weight379.57 g/mol
Exact Mass379.23
IUPAC Name6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole
SMILESCC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C20H33N3O2S/c1-15(2)13-23-14-16(10-11-21-26(24,25)22(6)7)18-9-8-17(12-19(18)23)20(3,4)5/h8-9,12,14-15,21H,10-11,13H2,1-7H3
InChIKeyWAHLHCCNJKGPSN-UHFFFAOYSA-N
XLogP3.53
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole?
The IUPAC name of 6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole (CID 166910693) is 6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole.
What is the SMILES notation for 6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole?
The canonical SMILES for 6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole is CC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole?
The InChIKey is WAHLHCCNJKGPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2S/c1-15(2)13-23-14-16(10-11-21-26(24,25)22(6)7)18-9-8-17(12-19(18)23)20(3,4)5/h8-9,12,14-15,21H,10-11,13H2,1-7H3.
What are the key properties of 6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole?
6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole has a molecular weight of 379.57 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole is sourced from PubChem (CID 166910693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).