3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide

C19H24N2O5S — CID 55571429

IUPAC3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C19H24N2O5S/c1-14-5-6-15(13-18(14)20-27(4,23)24)19(22)21(2)11-12-26-17-9-7-16(25-3)8-10-17/h5-10,13,20H,11-12H2,1-4H3
InChIKeyQISIXPHPECASSN-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.53
Rot. Bonds8

About 3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide

3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide (PubChem CID 55571429) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
PubChem CID55571429
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C19H24N2O5S/c1-14-5-6-15(13-18(14)20-27(4,23)24)19(22)21(2)11-12-26-17-9-7-16(25-3)8-10-17/h5-10,13,20H,11-12H2,1-4H3
InChIKeyQISIXPHPECASSN-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-chlorophenoxy)propyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 55956047
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9429656
N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 119659045
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24517356
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31470074
N-[2-(3,5-dimethylphenoxy)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24517392
2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189349
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide
CID 78794109
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 78794092
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618208
3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide
CID 134062114

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide (CID 55571429) is 3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide is COc1ccc(OCCN(C)C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1.
What is the InChIKey of 3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide?
The InChIKey is QISIXPHPECASSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-14-5-6-15(13-18(14)20-27(4,23)24)19(22)21(2)11-12-26-17-9-7-16(25-3)8-10-17/h5-10,13,20H,11-12H2,1-4H3.
What are the key properties of 3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide?
3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide has a molecular weight of 392.48 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 55571429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).