methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate

C21H25N3O4S — CID 71796934

IUPACmethyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCC(c2cn(C)c3ccccc23)N(C)C)cc1
InChIInChI=1S/C21H25N3O4S/c1-23(2)20(18-14-24(3)19-8-6-5-7-17(18)19)13-22-29(26,27)16-11-9-15(10-12-16)21(25)28-4/h5-12,14,20,22H,13H2,1-4H3
InChIKeyZRADHNRCWXEJHQ-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.55
Rot. Bonds7

About methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate

methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate (PubChem CID 71796934) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate
PubChem CID71796934
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Namemethyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCC(c2cn(C)c3ccccc23)N(C)C)cc1
InChIInChI=1S/C21H25N3O4S/c1-23(2)20(18-14-24(3)19-8-6-5-7-17(18)19)13-22-29(26,27)16-11-9-15(10-12-16)21(25)28-4/h5-12,14,20,22H,13H2,1-4H3
InChIKeyZRADHNRCWXEJHQ-UHFFFAOYSA-N
XLogP2.55
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate with MolForge

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Related Compounds

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzenesulfonamide
CID 90490882
methyl 4-[[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]sulfamoyl]benzoate
CID 122246571
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 90490919
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide
CID 90490875
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-ethoxy-3-fluorobenzenesulfonamide
CID 71780339
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 90490899
N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 97414114
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 90490740
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 90490886
1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226
4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 4883799

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate (CID 71796934) is methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NCC(c2cn(C)c3ccccc23)N(C)C)cc1.
What is the InChIKey of methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate?
The InChIKey is ZRADHNRCWXEJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-23(2)20(18-14-24(3)19-8-6-5-7-17(18)19)13-22-29(26,27)16-11-9-15(10-12-16)21(25)28-4/h5-12,14,20,22H,13H2,1-4H3.
What are the key properties of methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate?
methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate has a molecular weight of 415.52 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate is sourced from PubChem (CID 71796934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).