N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide

C24H25ClN2O5S — CID 27795629

IUPACN-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H25ClN2O5S/c1-17-4-9-20(10-5-17)26-33(29,30)23-16-18(6-13-22(23)31-3)24(28)27(2)14-15-32-21-11-7-19(25)8-12-21/h4-13,16,26H,14-15H2,1-3H3
InChIKeyKBTXHKKYCHQKOD-UHFFFAOYSA-N
MW488.99 g/mol
LogP4.61
Rot. Bonds9

About N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide

N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 27795629) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID27795629
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H25ClN2O5S/c1-17-4-9-20(10-5-17)26-33(29,30)23-16-18(6-13-22(23)31-3)24(28)27(2)14-15-32-21-11-7-19(25)8-12-21/h4-13,16,26H,14-15H2,1-3H3
InChIKeyKBTXHKKYCHQKOD-UHFFFAOYSA-N
XLogP4.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24517356
N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 39735566
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 55348301
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24550377
N-[2-(3,5-dimethylphenoxy)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24517392
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 31289866
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 26622481
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26582501
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 27822020
N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31470074

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 27795629) is N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide is COc1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is KBTXHKKYCHQKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-17-4-9-20(10-5-17)26-33(29,30)23-16-18(6-13-22(23)31-3)24(28)27(2)14-15-32-21-11-7-19(25)8-12-21/h4-13,16,26H,14-15H2,1-3H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 488.99 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 27795629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).