[2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate

C24H28N2O4S — CID 150203480

IUPAC[2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate
SMILESCC(=O)OCc1c(-c2ccc(C)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2ccccc12
InChIInChI=1S/C24H28N2O4S/c1-16-12-13-18(14-23(16)31(28,29)26-19-8-4-3-5-9-19)24-21(15-30-17(2)27)20-10-6-7-11-22(20)25-24/h6-7,10-14,19,25-26H,3-5,8-9,15H2,1-2H3
InChIKeyFPZDOSVUVAJUMA-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.82
Rot. Bonds6

About [2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate

[2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate (PubChem CID 150203480) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is [2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate.

Molecular Properties

Compound Name[2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate
PubChem CID150203480
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Name[2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate
SMILESCC(=O)OCc1c(-c2ccc(C)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2ccccc12
InChIInChI=1S/C24H28N2O4S/c1-16-12-13-18(14-23(16)31(28,29)26-19-8-4-3-5-9-19)24-21(15-30-17(2)27)20-10-6-7-11-22(20)25-24/h6-7,10-14,19,25-26H,3-5,8-9,15H2,1-2H3
InChIKeyFPZDOSVUVAJUMA-UHFFFAOYSA-N
XLogP4.82
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate?
The IUPAC name of [2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate (CID 150203480) is [2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate.
What is the SMILES notation for [2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate?
The canonical SMILES for [2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate is CC(=O)OCc1c(-c2ccc(C)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2ccccc12.
What is the InChIKey of [2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate?
The InChIKey is FPZDOSVUVAJUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-16-12-13-18(14-23(16)31(28,29)26-19-8-4-3-5-9-19)24-21(15-30-17(2)27)20-10-6-7-11-22(20)25-24/h6-7,10-14,19,25-26H,3-5,8-9,15H2,1-2H3.
What are the key properties of [2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate?
[2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate has a molecular weight of 440.57 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate is sourced from PubChem (CID 150203480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).