2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C21H29N5O3S — CID 53280050

IUPAC2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C21H29N5O3S/c1-23(2)30(28,29)26(20-7-5-4-6-8-20)17-21(27)22-18-9-11-19(12-10-18)25-15-13-24(3)14-16-25/h4-12H,13-17H2,1-3H3,(H,22,27)
InChIKeyAUVQMAZNSUECLR-UHFFFAOYSA-N
MW431.56 g/mol
LogP1.69
Rot. Bonds7

About 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 53280050) has the molecular formula C21H29N5O3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID53280050
Molecular FormulaC21H29N5O3S
Molecular Weight431.56 g/mol
Exact Mass431.20
IUPAC Name2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C21H29N5O3S/c1-23(2)30(28,29)26(20-7-5-4-6-8-20)17-21(27)22-18-9-11-19(12-10-18)25-15-13-24(3)14-16-25/h4-12H,13-17H2,1-3H3,(H,22,27)
InChIKeyAUVQMAZNSUECLR-UHFFFAOYSA-N
XLogP1.69
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53283554
N-(4-acetamidophenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 17201170
2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53279102
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
2-[N-(dimethylsulfamoyl)anilino]-N-(4-methoxyphenyl)acetamide
CID 3363391
2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 15991423
2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113162094
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53279235
2-[butyl(methyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109006156
1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea
CID 108991540
3-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109017152
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148588

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 53280050) is 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CN1CCN(c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)cc2)CC1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is AUVQMAZNSUECLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3S/c1-23(2)30(28,29)26(20-7-5-4-6-8-20)17-21(27)22-18-9-11-19(12-10-18)25-15-13-24(3)14-16-25/h4-12H,13-17H2,1-3H3,(H,22,27).
What are the key properties of 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 431.56 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 53280050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).