N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide

C24H26N2O5S — CID 55947038

IUPACN-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1C
InChIInChI=1S/C24H26N2O5S/c1-4-32(28,29)26-21-12-11-20(14-17(21)2)25-24(27)19-10-13-22(23(15-19)30-3)31-16-18-8-6-5-7-9-18/h5-15,26H,4,16H2,1-3H3,(H,25,27)
InChIKeyREKQZPDIRADBRL-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.60
Rot. Bonds9

About N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide

N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide (PubChem CID 55947038) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide
PubChem CID55947038
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1C
InChIInChI=1S/C24H26N2O5S/c1-4-32(28,29)26-21-12-11-20(14-17(21)2)25-24(27)19-10-13-22(23(15-19)30-3)31-16-18-8-6-5-7-9-18/h5-15,26H,4,16H2,1-3H3,(H,25,27)
InChIKeyREKQZPDIRADBRL-UHFFFAOYSA-N
XLogP4.60
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide
CID 55959946
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-methoxyphenoxy)acetamide
CID 55947423
N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
CID 126186357
4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948187
N-[3-(dimethylsulfamoyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide
CID 26654034
3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide
CID 55946908
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201
3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948834
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide (CID 55947038) is N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1C.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide?
The InChIKey is REKQZPDIRADBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-4-32(28,29)26-21-12-11-20(14-17(21)2)25-24(27)19-10-13-22(23(15-19)30-3)31-16-18-8-6-5-7-9-18/h5-15,26H,4,16H2,1-3H3,(H,25,27).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide?
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide has a molecular weight of 454.55 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 55947038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).