N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

C30H28ClN3O5S — CID 17247535

IUPACN-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C30H28ClN3O5S/c1-21-3-17-29(18-4-21)40(37,38)34(19-23-5-7-24(31)8-6-23)27-13-15-28(16-14-27)39-20-30(36)33-26-11-9-25(10-12-26)32-22(2)35/h3-18H,19-20H2,1-2H3,(H,32,35)(H,33,36)
InChIKeyOHWNCPSXZAPZMW-UHFFFAOYSA-N
MW578.09 g/mol
LogP6.02
Rot. Bonds10

About N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (PubChem CID 17247535) has the molecular formula C30H28ClN3O5S and a molecular weight of 578.09 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
PubChem CID17247535
Molecular FormulaC30H28ClN3O5S
Molecular Weight578.09 g/mol
Exact Mass577.14
IUPAC NameN-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C30H28ClN3O5S/c1-21-3-17-29(18-4-21)40(37,38)34(19-23-5-7-24(31)8-6-23)27-13-15-28(16-14-27)39-20-30(36)33-26-11-9-25(10-12-26)32-22(2)35/h3-18H,19-20H2,1-2H3,(H,32,35)(H,33,36)
InChIKeyOHWNCPSXZAPZMW-UHFFFAOYSA-N
XLogP6.02
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.09
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide with MolForge

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Related Compounds

N-(4-bromophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247509
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide
CID 17247518
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 99961252
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 99961243
N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247460
N-[4-[(4-methylphenyl)-[(4-methylphenyl)methyl]sulfamoyl]phenyl]acetamide
CID 46022239
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129821
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-phenylethyl)acetamide
CID 17247484
N-(4-chlorophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1372895
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(pyridin-4-ylmethyl)acetamide
CID 99961185
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 92649355
2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 99961161

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (CID 17247535) is N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is CC(=O)Nc1ccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The InChIKey is OHWNCPSXZAPZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN3O5S/c1-21-3-17-29(18-4-21)40(37,38)34(19-23-5-7-24(31)8-6-23)27-13-15-28(16-14-27)39-20-30(36)33-26-11-9-25(10-12-26)32-22(2)35/h3-18H,19-20H2,1-2H3,(H,32,35)(H,33,36).
What are the key properties of N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide has a molecular weight of 578.09 g/mol, XLogP of 6.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 17247535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).