N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide

C28H25Cl2N3O6S2 — CID 126415494

IUPACN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C28H25Cl2N3O6S2/c1-40(35,36)33(22-12-14-23(15-13-22)39-19-20-6-3-2-4-7-20)18-27(34)31-21-10-16-24(17-11-21)41(37,38)32-26-9-5-8-25(29)28(26)30/h2-17,32H,18-19H2,1H3,(H,31,34)
InChIKeyDKGZDGLGZQVXAV-UHFFFAOYSA-N
MW634.56 g/mol
LogP5.78
Rot. Bonds11

About N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide

N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide (PubChem CID 126415494) has the molecular formula C28H25Cl2N3O6S2 and a molecular weight of 634.56 g/mol. Its IUPAC name is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide.

Molecular Properties

Compound NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
PubChem CID126415494
Molecular FormulaC28H25Cl2N3O6S2
Molecular Weight634.56 g/mol
Exact Mass633.06
IUPAC NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C28H25Cl2N3O6S2/c1-40(35,36)33(22-12-14-23(15-13-22)39-19-20-6-3-2-4-7-20)18-27(34)31-21-10-16-24(17-11-21)41(37,38)32-26-9-5-8-25(29)28(26)30/h2-17,32H,18-19H2,1H3,(H,31,34)
InChIKeyDKGZDGLGZQVXAV-UHFFFAOYSA-N
XLogP5.78
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.56
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromo-N-methylsulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 43882280
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 3438302
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502718
2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51342544
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 18891039
ethyl 4-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetyl]amino]benzoate
CID 2222345
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 3655318
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100519657
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2712087
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2224754
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51344624
(4-methylphenyl)-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]sulfamic acid
CID 174743808

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide?
The IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide (CID 126415494) is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide.
What is the SMILES notation for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide?
The canonical SMILES for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide?
The InChIKey is DKGZDGLGZQVXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2N3O6S2/c1-40(35,36)33(22-12-14-23(15-13-22)39-19-20-6-3-2-4-7-20)18-27(34)31-21-10-16-24(17-11-21)41(37,38)32-26-9-5-8-25(29)28(26)30/h2-17,32H,18-19H2,1H3,(H,31,34).
What are the key properties of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide?
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide has a molecular weight of 634.56 g/mol, XLogP of 5.78, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide is sourced from PubChem (CID 126415494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).