N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide

C24H26N2O4S — CID 132671557

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)c3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-16-8-9-19(14-17(16)2)18(3)25-24(27)20-6-5-7-21(15-20)26-31(28,29)23-12-10-22(30-4)11-13-23/h5-15,18,26H,1-4H3,(H,25,27)
InChIKeyPZBPZDXSEFIYOB-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.60
Rot. Bonds7

About N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide

N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide (PubChem CID 132671557) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
PubChem CID132671557
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)c3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-16-8-9-19(14-17(16)2)18(3)25-24(27)20-6-5-7-21(15-20)26-31(28,29)23-12-10-22(30-4)11-13-23/h5-15,18,26H,1-4H3,(H,25,27)
InChIKeyPZBPZDXSEFIYOB-UHFFFAOYSA-N
XLogP4.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 132611720
N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 132663597
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 99958629
N-[1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132672025
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709404
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382
4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 132671525
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92681084
3-[(3,5-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 92675662
3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 30389944
N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 24504263
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 99951817

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide (CID 132671557) is N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide is COc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)c3ccc(C)c(C)c3)c2)cc1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The InChIKey is PZBPZDXSEFIYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-16-8-9-19(14-17(16)2)18(3)25-24(27)20-6-5-7-21(15-20)26-31(28,29)23-12-10-22(30-4)11-13-23/h5-15,18,26H,1-4H3,(H,25,27).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide has a molecular weight of 438.55 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 132671557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).