2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide

C18H23N3O5S2 — CID 30257983

IUPAC2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H23N3O5S2/c1-14-6-5-7-15(12-14)19-18(22)13-21(27(4,23)24)16-8-10-17(11-9-16)28(25,26)20(2)3/h5-12H,13H2,1-4H3,(H,19,22)
InChIKeyQAKCCMLVJMDBDQ-UHFFFAOYSA-N
MW425.53 g/mol
LogP1.65
Rot. Bonds7

About 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide

2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide (PubChem CID 30257983) has the molecular formula C18H23N3O5S2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide
PubChem CID30257983
Molecular FormulaC18H23N3O5S2
Molecular Weight425.53 g/mol
Exact Mass425.11
IUPAC Name2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H23N3O5S2/c1-14-6-5-7-15(12-14)19-18(22)13-21(27(4,23)24)16-8-10-17(11-9-16)28(25,26)20(2)3/h5-12H,13H2,1-4H3,(H,19,22)
InChIKeyQAKCCMLVJMDBDQ-UHFFFAOYSA-N
XLogP1.65
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate
CID 30272715
2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 1326606
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-propan-2-yloxyphenyl)acetamide
CID 30275822
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343143
methyl 4-[[2-(3-methylanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156049
N-(3-methylphenyl)-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156289
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methylphenyl)acetamide
CID 30257873
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126142617
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide
CID 1311149
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30171593
N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 113153763
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2228425

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide (CID 30257983) is 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide?
The InChIKey is QAKCCMLVJMDBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S2/c1-14-6-5-7-15(12-14)19-18(22)13-21(27(4,23)24)16-8-10-17(11-9-16)28(25,26)20(2)3/h5-12H,13H2,1-4H3,(H,19,22).
What are the key properties of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide?
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide has a molecular weight of 425.53 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 30257983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).