N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide

C19H24N2O5S — CID 92679282

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H24N2O5S/c1-5-27(23,24)20-16-9-7-15(8-10-16)19(22)21(2)13-14-6-11-17(25-3)18(12-14)26-4/h6-12,20H,5,13H2,1-4H3
InChIKeyZKBSZXYQDXIDQR-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.74
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide

N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide (PubChem CID 92679282) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide
PubChem CID92679282
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H24N2O5S/c1-5-27(23,24)20-16-9-7-15(8-10-16)19(22)21(2)13-14-6-11-17(25-3)18(12-14)26-4/h6-12,20H,5,13H2,1-4H3
InChIKeyZKBSZXYQDXIDQR-UHFFFAOYSA-N
XLogP2.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
N-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 26594486
1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 178070560
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 38038012
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-(methanesulfonamido)-N-methylbenzamide
CID 43910210
4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide
CID 38009998
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 31916876
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 18111551
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide
CID 112984101
N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
CID 110673839
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 18111575

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide (CID 92679282) is N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide is CCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide?
The InChIKey is ZKBSZXYQDXIDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-5-27(23,24)20-16-9-7-15(8-10-16)19(22)21(2)13-14-6-11-17(25-3)18(12-14)26-4/h6-12,20H,5,13H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide has a molecular weight of 392.48 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide is sourced from PubChem (CID 92679282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).