3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide

C20H23N3O3S — CID 110295882

IUPAC3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H23N3O3S/c1-14-8-9-15(12-19(14)27(25,26)23(2)3)20(24)21-11-10-16-13-22-18-7-5-4-6-17(16)18/h4-9,12-13,22H,10-11H2,1-3H3,(H,21,24)
InChIKeyXDDPNLUNTHXBQZ-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.70
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide

3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide (PubChem CID 110295882) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
PubChem CID110295882
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H23N3O3S/c1-14-8-9-15(12-19(14)27(25,26)23(2)3)20(24)21-11-10-16-13-22-18-7-5-4-6-17(16)18/h4-9,12-13,22H,10-11H2,1-3H3,(H,21,24)
InChIKeyXDDPNLUNTHXBQZ-UHFFFAOYSA-N
XLogP2.70
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645316
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645778
N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763695
3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645056
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide (CID 110295882) is 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide?
The InChIKey is XDDPNLUNTHXBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-14-8-9-15(12-19(14)27(25,26)23(2)3)20(24)21-11-10-16-13-22-18-7-5-4-6-17(16)18/h4-9,12-13,22H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide?
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide has a molecular weight of 385.49 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 110295882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).