2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide

C22H30N2O5S — CID 133158390

IUPAC2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide
SMILESCCC(NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C22H30N2O5S/c1-7-19(16-8-10-20(28-5)15(4)12-16)24-30(26,27)17-9-11-21(29-6)18(13-17)22(25)23-14(2)3/h8-14,19,24H,7H2,1-6H3,(H,23,25)
InChIKeyOXGCCQCOMPCDTK-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.58
Rot. Bonds9

About 2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide

2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide (PubChem CID 133158390) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide
PubChem CID133158390
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC Name2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide
SMILESCCC(NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C22H30N2O5S/c1-7-19(16-8-10-20(28-5)15(4)12-16)24-30(26,27)17-9-11-21(29-6)18(13-17)22(25)23-14(2)3/h8-14,19,24H,7H2,1-6H3,(H,23,25)
InChIKeyOXGCCQCOMPCDTK-UHFFFAOYSA-N
XLogP3.58
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
CID 133160247
2-methoxy-5-[[(1R)-1-(4-methylphenyl)ethyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 28572520
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133184802
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide
CID 133220057
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 133161197
5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
CID 92680004
2-chloro-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 100638516
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 100638531
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide
CID 133162271

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide (CID 133158390) is 2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide is CCC(NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide?
The InChIKey is OXGCCQCOMPCDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-7-19(16-8-10-20(28-5)15(4)12-16)24-30(26,27)17-9-11-21(29-6)18(13-17)22(25)23-14(2)3/h8-14,19,24H,7H2,1-6H3,(H,23,25).
What are the key properties of 2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide?
2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide has a molecular weight of 434.56 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 133158390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).