N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide

C28H25ClN2O5S — CID 126383436

IUPACN-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)cc1C
InChIInChI=1S/C28H25ClN2O5S/c1-19-8-10-22(16-20(19)2)31-37(33,34)25-13-11-23(12-14-25)35-18-28(32)30-26-17-21(29)9-15-27(26)36-24-6-4-3-5-7-24/h3-17,31H,18H2,1-2H3,(H,30,32)
InChIKeySMKHPDYRKOYLQE-UHFFFAOYSA-N
MW537.04 g/mol
LogP6.57
Rot. Bonds9

About N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide

N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 126383436) has the molecular formula C28H25ClN2O5S and a molecular weight of 537.04 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID126383436
Molecular FormulaC28H25ClN2O5S
Molecular Weight537.04 g/mol
Exact Mass536.12
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)cc1C
InChIInChI=1S/C28H25ClN2O5S/c1-19-8-10-22(16-20(19)2)31-37(33,34)25-13-11-23(12-14-25)35-18-28(32)30-26-17-21(29)9-15-27(26)36-24-6-4-3-5-7-24/h3-17,31H,18H2,1-2H3,(H,30,32)
InChIKeySMKHPDYRKOYLQE-UHFFFAOYSA-N
XLogP6.57
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.04
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126235503
N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126251916
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 3906228
methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126252916
N-(2,4-dimethoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 126390204
N-(3,4-difluorophenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553221
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 126393350
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126394237
N-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 2205494
N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247356
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 4015513
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(2-methyl-5-nitrophenyl)acetamide
CID 3879058

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide (CID 126383436) is N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide is Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)cc1C.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is SMKHPDYRKOYLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O5S/c1-19-8-10-22(16-20(19)2)31-37(33,34)25-13-11-23(12-14-25)35-18-28(32)30-26-17-21(29)9-15-27(26)36-24-6-4-3-5-7-24/h3-17,31H,18H2,1-2H3,(H,30,32).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 537.04 g/mol, XLogP of 6.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 126383436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).