[2-[3-[[2-(butylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetyl] 2-[5-fluoro-2-methyl-3-[[2-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetate

C43H46F2N4O7S2 — CID 91166131

IUPAC[2-[3-[[2-(butylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetyl] 2-[5-fluoro-2-methyl-3-[[2-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetate
SMILESCCCCNS(=O)(=O)c1ccccc1Cc1c(C)n(CC(=O)OC(=O)Cn2c(C)c(Cc3ccccc3S(=O)(=O)NCCC)c3cc(F)ccc32)c2ccc(F)cc12
InChIInChI=1S/C43H46F2N4O7S2/c1-5-7-21-47-58(54,55)41-15-11-9-13-31(41)23-35-29(4)49(39-19-17-33(45)25-37(35)39)27-43(51)56-42(50)26-48-28(3)34(36-24-32(44)16-18-38(36)48)22-30-12-8-10-14-40(30)57(52,53)46-20-6-2/h8-19,24-25,46-47H,5-7,20-23,26-27H2,1-4H3
InChIKeyUQXMXKLVCYGMCS-UHFFFAOYSA-N
MW832.99 g/mol
LogP7.21
Rot. Bonds17

About [2-[3-[[2-(butylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetyl] 2-[5-fluoro-2-methyl-3-[[2-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetate

[2-[3-[[2-(butylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetyl] 2-[5-fluoro-2-methyl-3-[[2-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetate (PubChem CID 91166131) has the molecular formula C43H46F2N4O7S2 and a molecular weight of 832.99 g/mol. Its IUPAC name is [2-[3-[[2-(butylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetyl] 2-[5-fluoro-2-methyl-3-[[2-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetate.

Molecular Properties

Compound Name[2-[3-[[2-(butylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetyl] 2-[5-fluoro-2-methyl-3-[[2-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetate
PubChem CID91166131
Molecular FormulaC43H46F2N4O7S2
Molecular Weight832.99 g/mol
Exact Mass832.28
IUPAC Name[2-[3-[[2-(butylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetyl] 2-[5-fluoro-2-methyl-3-[[2-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetate
SMILESCCCCNS(=O)(=O)c1ccccc1Cc1c(C)n(CC(=O)OC(=O)Cn2c(C)c(Cc3ccccc3S(=O)(=O)NCCC)c3cc(F)ccc32)c2ccc(F)cc12
InChIInChI=1S/C43H46F2N4O7S2/c1-5-7-21-47-58(54,55)41-15-11-9-13-31(41)23-35-29(4)49(39-19-17-33(45)25-37(35)39)27-43(51)56-42(50)26-48-28(3)34(36-24-32(44)16-18-38(36)48)22-30-12-8-10-14-40(30)57(52,53)46-20-6-2/h8-19,24-25,46-47H,5-7,20-23,26-27H2,1-4H3
InChIKeyUQXMXKLVCYGMCS-UHFFFAOYSA-N
XLogP7.21
TPSA145.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.99
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [2-[3-[[2-(butylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetyl] 2-[5-fluoro-2-methyl-3-[[2-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cay-10471
CID 11384493
[(3R)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid
CID 25817650
[3-((R)-4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-acetic acid
CID 11545850
[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-acetic acid
CID 44390242
2-[3-(1,1-Dioxo-2,3-dihydro-1,2-benzothiazol-3-yl)-5-fluoro-2-methylindol-1-yl]acetic acid
CID 46890030
rac-{2-Methyl-3-[2-(3-methyl-butyl)-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-benzo[d]isothiazol-3-yl]-indol-1-yl}-acetic acid
CID 46890089
[3-(2-Isopropyl-1,1-dioxo-2,3-dihydro-1h-1lambda6-benzo[d]isothiazol-3-yl)-2-methyl-indol-1-yl]-acetic acid
CID 46890134
2-[3-(1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-2-methylindol-1-yl]acetic acid
CID 46890135
[3-(1-Benzenesulfonyl-1H-pyrrol-2-ylmethyl)-5-fluoro-2-methyl-indol-1-yl]-acetic acid
CID 11856120
[6-(4-Fluoro-benzenesulfonylamino)-3-methyl-1,2,3,4-tetrahydro-carbazol-9-yl]-acetic acid
CID 11452761
[6-(4-Fluoro-benzenesulfonylamino)-3-phenyl-1,2,3,4-tetrahydro-carbazol-9-yl]-acetic acid
CID 44390332
2-[3-[1,1-dioxo-2-(2-phenylethyl)-3H-1,2-benzothiazol-3-yl]-2-methylindol-1-yl]acetic acid
CID 46890178

Frequently Asked Questions

What is the IUPAC name of [2-[3-[[2-(butylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetyl] 2-[5-fluoro-2-methyl-3-[[2-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetate?
The IUPAC name of [2-[3-[[2-(butylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetyl] 2-[5-fluoro-2-methyl-3-[[2-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetate (CID 91166131) is [2-[3-[[2-(butylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetyl] 2-[5-fluoro-2-methyl-3-[[2-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetate.
What is the SMILES notation for [2-[3-[[2-(butylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetyl] 2-[5-fluoro-2-methyl-3-[[2-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetate?
The canonical SMILES for [2-[3-[[2-(butylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetyl] 2-[5-fluoro-2-methyl-3-[[2-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetate is CCCCNS(=O)(=O)c1ccccc1Cc1c(C)n(CC(=O)OC(=O)Cn2c(C)c(Cc3ccccc3S(=O)(=O)NCCC)c3cc(F)ccc32)c2ccc(F)cc12.
What is the InChIKey of [2-[3-[[2-(butylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetyl] 2-[5-fluoro-2-methyl-3-[[2-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetate?
The InChIKey is UQXMXKLVCYGMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46F2N4O7S2/c1-5-7-21-47-58(54,55)41-15-11-9-13-31(41)23-35-29(4)49(39-19-17-33(45)25-37(35)39)27-43(51)56-42(50)26-48-28(3)34(36-24-32(44)16-18-38(36)48)22-30-12-8-10-14-40(30)57(52,53)46-20-6-2/h8-19,24-25,46-47H,5-7,20-23,26-27H2,1-4H3.
What are the key properties of [2-[3-[[2-(butylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetyl] 2-[5-fluoro-2-methyl-3-[[2-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetate?
[2-[3-[[2-(butylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetyl] 2-[5-fluoro-2-methyl-3-[[2-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetate has a molecular weight of 832.99 g/mol, XLogP of 7.21, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[[2-(butylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetyl] 2-[5-fluoro-2-methyl-3-[[2-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetate is sourced from PubChem (CID 91166131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).