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

C26H30N2O4S — CID 100548940

IUPACN-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCC[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C26H30N2O4S/c1-6-23(20-11-14-25(32-5)19(4)15-20)27-26(29)21-10-9-18(3)24(16-21)28-33(30,31)22-12-7-17(2)8-13-22/h7-16,23,28H,6H2,1-5H3,(H,27,29)/t23-/m0/s1
InChIKeyLTDDTVLXHHYKDS-QHCPKHFHSA-N
MW466.60 g/mol
LogP5.30
Rot. Bonds8

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

N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 100548940) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID100548940
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCC[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C26H30N2O4S/c1-6-23(20-11-14-25(32-5)19(4)15-20)27-26(29)21-10-9-18(3)24(16-21)28-33(30,31)22-12-7-17(2)8-13-22/h7-16,23,28H,6H2,1-5H3,(H,27,29)/t23-/m0/s1
InChIKeyLTDDTVLXHHYKDS-QHCPKHFHSA-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-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 133161197
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-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 38002730
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
CID 133160247
3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 93486433
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 43905793
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100683262
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-(methylsulfamoyl)benzamide
CID 100624134
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide
CID 133201858

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 100548940) is N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide is CC[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(OC)c(C)c1.
What is the InChIKey of N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is LTDDTVLXHHYKDS-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-6-23(20-11-14-25(32-5)19(4)15-20)27-26(29)21-10-9-18(3)24(16-21)28-33(30,31)22-12-7-17(2)8-13-22/h7-16,23,28H,6H2,1-5H3,(H,27,29)/t23-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-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-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 100548940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).