3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide

C25H28N2O4S — CID 126412703

IUPAC3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1
InChIInChI=1S/C25H28N2O4S/c1-17-5-6-18(2)23(15-17)27-32(29,30)24-16-21(10-7-19(24)3)25(28)26-14-13-20-8-11-22(31-4)12-9-20/h5-12,15-16,27H,13-14H2,1-4H3,(H,26,28)
InChIKeyBRLIIWSXQNVHDG-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.39
Rot. Bonds8

About 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide

3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide (PubChem CID 126412703) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
PubChem CID126412703
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1
InChIInChI=1S/C25H28N2O4S/c1-17-5-6-18(2)23(15-17)27-32(29,30)24-16-21(10-7-19(24)3)25(28)26-14-13-20-8-11-22(31-4)12-9-20/h5-12,15-16,27H,13-14H2,1-4H3,(H,26,28)
InChIKeyBRLIIWSXQNVHDG-UHFFFAOYSA-N
XLogP4.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 2373077
N-[(4-methoxyphenyl)methyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2234266
3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide
CID 961911
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 55959451
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27548689
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40742173
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 35509180
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide
CID 18082399
N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 119507136
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448889
N-[2-(4-methoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27548654

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide (CID 126412703) is 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide is COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide?
The InChIKey is BRLIIWSXQNVHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-17-5-6-18(2)23(15-17)27-32(29,30)24-16-21(10-7-19(24)3)25(28)26-14-13-20-8-11-22(31-4)12-9-20/h5-12,15-16,27H,13-14H2,1-4H3,(H,26,28).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide?
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide has a molecular weight of 452.58 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 126412703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).