N-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide

C25H28N2O5S — CID 43017329

IUPACN-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C25H28N2O5S/c1-19-9-10-21(25(28)27(15-16-31-2)18-20-7-5-4-6-8-20)17-24(19)33(29,30)26-22-11-13-23(32-3)14-12-22/h4-14,17,26H,15-16,18H2,1-3H3
InChIKeyLSBCSGWBTFSTPU-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.09
Rot. Bonds10

About N-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide

N-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 43017329) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID43017329
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C25H28N2O5S/c1-19-9-10-21(25(28)27(15-16-31-2)18-20-7-5-4-6-8-20)17-24(19)33(29,30)26-22-11-13-23(32-3)14-12-22/h4-14,17,26H,15-16,18H2,1-3H3
InChIKeyLSBCSGWBTFSTPU-UHFFFAOYSA-N
XLogP4.09
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 38252606
N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 38518080
N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)-4-methylbenzamide
CID 38702132
N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 27826829
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
N-benzyl-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 4042579
N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 31236388
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 2373077
N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 119507136
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 9413965

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide (CID 43017329) is N-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide is COCCN(Cc1ccccc1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is LSBCSGWBTFSTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-19-9-10-21(25(28)27(15-16-31-2)18-20-7-5-4-6-8-20)17-24(19)33(29,30)26-22-11-13-23(32-3)14-12-22/h4-14,17,26H,15-16,18H2,1-3H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
N-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 468.58 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 43017329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).