2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide

C31H33N3O5S2 — CID 43880616

IUPAC2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C31H33N3O5S2/c1-21-6-12-30(13-7-21)41(38,39)34(28-17-22(2)16-23(3)18-28)20-31(35)32-26-10-14-29(15-11-26)40(36,37)33-27-9-8-24(4)25(5)19-27/h6-19,33H,20H2,1-5H3,(H,32,35)
InChIKeyKFAVKVOJQQHNPT-UHFFFAOYSA-N
MW591.76 g/mol
LogP5.86
Rot. Bonds9

About 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide

2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43880616) has the molecular formula C31H33N3O5S2 and a molecular weight of 591.76 g/mol. Its IUPAC name is 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID43880616
Molecular FormulaC31H33N3O5S2
Molecular Weight591.76 g/mol
Exact Mass591.19
IUPAC Name2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C31H33N3O5S2/c1-21-6-12-30(13-7-21)41(38,39)34(28-17-22(2)16-23(3)18-28)20-31(35)32-26-10-14-29(15-11-26)40(36,37)33-27-9-8-24(4)25(5)19-27/h6-19,33H,20H2,1-5H3,(H,32,35)
InChIKeyKFAVKVOJQQHNPT-UHFFFAOYSA-N
XLogP5.86
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.76
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880892
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 46764787
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 51345362
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43881792
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43882365
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43879887
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43881628
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171177
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126324001
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880995
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 43881021
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 99942452

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide (CID 43880616) is 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c2cc(C)cc(C)c2)cc1.
What is the InChIKey of 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is KFAVKVOJQQHNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O5S2/c1-21-6-12-30(13-7-21)41(38,39)34(28-17-22(2)16-23(3)18-28)20-31(35)32-26-10-14-29(15-11-26)40(36,37)33-27-9-8-24(4)25(5)19-27/h6-19,33H,20H2,1-5H3,(H,32,35).
What are the key properties of 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide?
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 591.76 g/mol, XLogP of 5.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43880616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).