N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide

C26H30N2O4S — CID 133161197

IUPACN-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCC(NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C)c1ccc(OC)c(C)c1
InChIInChI=1S/C26H30N2O4S/c1-6-23(20-12-15-25(32-5)18(3)16-20)27-26(29)22-8-7-9-24(19(22)4)28-33(30,31)21-13-10-17(2)11-14-21/h7-16,23,28H,6H2,1-5H3,(H,27,29)
InChIKeyXVSHMAFXIQIQNT-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.30
Rot. Bonds8

About N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide

N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 133161197) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID133161197
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCC(NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C)c1ccc(OC)c(C)c1
InChIInChI=1S/C26H30N2O4S/c1-6-23(20-12-15-25(32-5)18(3)16-20)27-26(29)22-8-7-9-24(19(22)4)28-33(30,31)21-13-10-17(2)11-14-21/h7-16,23,28H,6H2,1-5H3,(H,27,29)
InChIKeyXVSHMAFXIQIQNT-UHFFFAOYSA-N
XLogP5.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 100548932
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 100548940
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-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 43875279
2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide
CID 133158390
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
CID 133160247
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100766332
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133184802
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-(methylsulfamoyl)benzamide
CID 100624134
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 40607885
N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 132670901

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 133161197) is N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide is CCC(NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C)c1ccc(OC)c(C)c1.
What is the InChIKey of N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is XVSHMAFXIQIQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-6-23(20-12-15-25(32-5)18(3)16-20)27-26(29)22-8-7-9-24(19(22)4)28-33(30,31)21-13-10-17(2)11-14-21/h7-16,23,28H,6H2,1-5H3,(H,27,29).
What are the key properties of N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 466.60 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 133161197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).