N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide

C21H27N3O4S — CID 39098073

IUPACN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)c1C
InChIInChI=1S/C21H27N3O4S/c1-13(2)20(25)22-17-9-7-16(8-10-17)21(26)23-19-12-18(11-14(3)15(19)4)29(27,28)24(5)6/h7-13H,1-6H3,(H,22,25)(H,23,26)
InChIKeyWWPDRJZMNJYAMQ-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.40
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide (PubChem CID 39098073) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide
PubChem CID39098073
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)c1C
InChIInChI=1S/C21H27N3O4S/c1-13(2)20(25)22-17-9-7-16(8-10-17)21(26)23-19-12-18(11-14(3)15(19)4)29(27,28)24(5)6/h7-13H,1-6H3,(H,22,25)(H,23,26)
InChIKeyWWPDRJZMNJYAMQ-UHFFFAOYSA-N
XLogP3.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethylbenzamide
CID 27832740
3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 9050460
N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 977709
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 39131564
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
2-chloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 16564311
4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide
CID 26978285
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenoxypropanamide
CID 43032566
4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 110776363
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide
CID 9141346
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 34234365

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide (CID 39098073) is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)c1C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide?
The InChIKey is WWPDRJZMNJYAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-13(2)20(25)22-17-9-7-16(8-10-17)21(26)23-19-12-18(11-14(3)15(19)4)29(27,28)24(5)6/h7-13H,1-6H3,(H,22,25)(H,23,26).
What are the key properties of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide?
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide has a molecular weight of 417.53 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 39098073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).