2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide

C16H23BrN4O3S — CID 166912138

IUPAC2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(Br)cc21
InChIInChI=1S/C16H23BrN4O3S/c1-19(2)16(22)11-21-10-12(7-8-18-25(23,24)20(3)4)14-6-5-13(17)9-15(14)21/h5-6,9-10,18H,7-8,11H2,1-4H3
InChIKeyYWSHTJXNDIONRD-UHFFFAOYSA-N
MW431.36 g/mol
LogP1.43
Rot. Bonds7

About 2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide

2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide (PubChem CID 166912138) has the molecular formula C16H23BrN4O3S and a molecular weight of 431.36 g/mol. Its IUPAC name is 2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide
PubChem CID166912138
Molecular FormulaC16H23BrN4O3S
Molecular Weight431.36 g/mol
Exact Mass430.07
IUPAC Name2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(Br)cc21
InChIInChI=1S/C16H23BrN4O3S/c1-19(2)16(22)11-21-10-12(7-8-18-25(23,24)20(3)4)14-6-5-13(17)9-15(14)21/h5-6,9-10,18H,7-8,11H2,1-4H3
InChIKeyYWSHTJXNDIONRD-UHFFFAOYSA-N
XLogP1.43
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide (CID 166912138) is 2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(Br)cc21.
What is the InChIKey of 2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide?
The InChIKey is YWSHTJXNDIONRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4O3S/c1-19(2)16(22)11-21-10-12(7-8-18-25(23,24)20(3)4)14-6-5-13(17)9-15(14)21/h5-6,9-10,18H,7-8,11H2,1-4H3.
What are the key properties of 2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide?
2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide has a molecular weight of 431.36 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 166912138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).