2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide

C24H34FN5O3S — CID 50807906

IUPAC2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide
SMILESCc1ccc(N(CC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C24H34FN5O3S/c1-20-5-9-23(10-6-20)30(34(32,33)27(2)3)19-24(31)26-13-4-14-28-15-17-29(18-16-28)22-11-7-21(25)8-12-22/h5-12H,4,13-19H2,1-3H3,(H,26,31)
InChIKeyUPVGBXNZZYHWDS-UHFFFAOYSA-N
MW491.63 g/mol
LogP2.08
Rot. Bonds10

About 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide

2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide (PubChem CID 50807906) has the molecular formula C24H34FN5O3S and a molecular weight of 491.63 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide
PubChem CID50807906
Molecular FormulaC24H34FN5O3S
Molecular Weight491.63 g/mol
Exact Mass491.24
IUPAC Name2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide
SMILESCc1ccc(N(CC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C24H34FN5O3S/c1-20-5-9-23(10-6-20)30(34(32,33)27(2)3)19-24(31)26-13-4-14-28-15-17-29(18-16-28)22-11-7-21(25)8-12-22/h5-12H,4,13-19H2,1-3H3,(H,26,31)
InChIKeyUPVGBXNZZYHWDS-UHFFFAOYSA-N
XLogP2.08
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.63
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(4-methylphenyl)oxamide
CID 42390454
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 92893418
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methylphenyl)acetamide
CID 53283197
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(3-ethoxypropyl)acetamide
CID 92664035
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53279235
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide
CID 53283202
4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide
CID 53237216
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide
CID 42224986
N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 53283214
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)propanamide
CID 42224826
N-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 50807890
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide
CID 50807963

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide (CID 50807906) is 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide is Cc1ccc(N(CC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide?
The InChIKey is UPVGBXNZZYHWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN5O3S/c1-20-5-9-23(10-6-20)30(34(32,33)27(2)3)19-24(31)26-13-4-14-28-15-17-29(18-16-28)22-11-7-21(25)8-12-22/h5-12H,4,13-19H2,1-3H3,(H,26,31).
What are the key properties of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide?
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide has a molecular weight of 491.63 g/mol, XLogP of 2.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 50807906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).