[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 6-bromo-1H-indole-2-carboxylate

C20H20BrN3O5S — CID 38633157

IUPAC[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 6-bromo-1H-indole-2-carboxylate
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)COC(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C20H20BrN3O5S/c1-24(2)30(27,28)18-6-4-3-5-14(18)11-22-19(25)12-29-20(26)17-9-13-7-8-15(21)10-16(13)23-17/h3-10,23H,11-12H2,1-2H3,(H,22,25)
InChIKeyVPXRIPDAVVDYSV-UHFFFAOYSA-N
MW494.37 g/mol
LogP2.65
Rot. Bonds7

About [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 6-bromo-1H-indole-2-carboxylate

[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 6-bromo-1H-indole-2-carboxylate (PubChem CID 38633157) has the molecular formula C20H20BrN3O5S and a molecular weight of 494.37 g/mol. Its IUPAC name is [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 6-bromo-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 6-bromo-1H-indole-2-carboxylate
PubChem CID38633157
Molecular FormulaC20H20BrN3O5S
Molecular Weight494.37 g/mol
Exact Mass493.03
IUPAC Name[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 6-bromo-1H-indole-2-carboxylate
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)COC(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C20H20BrN3O5S/c1-24(2)30(27,28)18-6-4-3-5-14(18)11-22-19(25)12-29-20(26)17-9-13-7-8-15(21)10-16(13)23-17/h3-10,23H,11-12H2,1-2H3,(H,22,25)
InChIKeyVPXRIPDAVVDYSV-UHFFFAOYSA-N
XLogP2.65
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 55523771
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CID 29449798
5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide
CID 30459248
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 30918870
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 31164490
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 26060329
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate
CID 55525104
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
2-(2-benzylphenoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 29466113
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 55941699
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
CID 34505493
4-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560077

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 6-bromo-1H-indole-2-carboxylate?
The IUPAC name of [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 6-bromo-1H-indole-2-carboxylate (CID 38633157) is [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 6-bromo-1H-indole-2-carboxylate.
What is the SMILES notation for [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 6-bromo-1H-indole-2-carboxylate?
The canonical SMILES for [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 6-bromo-1H-indole-2-carboxylate is CN(C)S(=O)(=O)c1ccccc1CNC(=O)COC(=O)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 6-bromo-1H-indole-2-carboxylate?
The InChIKey is VPXRIPDAVVDYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O5S/c1-24(2)30(27,28)18-6-4-3-5-14(18)11-22-19(25)12-29-20(26)17-9-13-7-8-15(21)10-16(13)23-17/h3-10,23H,11-12H2,1-2H3,(H,22,25).
What are the key properties of [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 6-bromo-1H-indole-2-carboxylate?
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 6-bromo-1H-indole-2-carboxylate has a molecular weight of 494.37 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 6-bromo-1H-indole-2-carboxylate is sourced from PubChem (CID 38633157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).