N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide

C25H29ClN4O5S2 — CID 18891020

IUPACN-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C25H29ClN4O5S2/c1-17-6-7-19(3)24(14-17)30(37(34,35)29(4)5)16-25(31)27-20-10-12-22(13-11-20)36(32,33)28-21-9-8-18(2)23(26)15-21/h6-15,28H,16H2,1-5H3,(H,27,31)
InChIKeySHSBCLRBUZGMCY-UHFFFAOYSA-N
MW565.12 g/mol
LogP4.32
Rot. Bonds9

About N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide

N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide (PubChem CID 18891020) has the molecular formula C25H29ClN4O5S2 and a molecular weight of 565.12 g/mol. Its IUPAC name is N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
PubChem CID18891020
Molecular FormulaC25H29ClN4O5S2
Molecular Weight565.12 g/mol
Exact Mass564.13
IUPAC NameN-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C25H29ClN4O5S2/c1-17-6-7-19(3)24(14-17)30(37(34,35)29(4)5)16-25(31)27-20-10-12-22(13-11-20)36(32,33)28-21-9-8-18(2)23(26)15-21/h6-15,28H,16H2,1-5H3,(H,27,31)
InChIKeySHSBCLRBUZGMCY-UHFFFAOYSA-N
XLogP4.32
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.12
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]benzoate
CID 92663899
N-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 92663794
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide
CID 92663800
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 99955420
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 18891082
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 5140498
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 46771539
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43881628
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(3-methoxyphenyl)acetamide
CID 53282064
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880441
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126416913

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The IUPAC name of N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide (CID 18891020) is N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide.
What is the SMILES notation for N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The canonical SMILES for N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide is Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The InChIKey is SHSBCLRBUZGMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O5S2/c1-17-6-7-19(3)24(14-17)30(37(34,35)29(4)5)16-25(31)27-20-10-12-22(13-11-20)36(32,33)28-21-9-8-18(2)23(26)15-21/h6-15,28H,16H2,1-5H3,(H,27,31).
What are the key properties of N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide has a molecular weight of 565.12 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide is sourced from PubChem (CID 18891020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).