N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide

C16H25ClN4O3S — CID 3962514

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C16H25ClN4O3S/c1-4-20-7-9-21(10-8-20)12-16(22)18-13-5-6-14(17)15(11-13)25(23,24)19(2)3/h5-6,11H,4,7-10,12H2,1-3H3,(H,18,22)
InChIKeyRKAUNVHUSYTLEU-UHFFFAOYSA-N
MW388.92 g/mol
LogP1.17
Rot. Bonds6

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 3962514) has the molecular formula C16H25ClN4O3S and a molecular weight of 388.92 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID3962514
Molecular FormulaC16H25ClN4O3S
Molecular Weight388.92 g/mol
Exact Mass388.13
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C16H25ClN4O3S/c1-4-20-7-9-21(10-8-20)12-16(22)18-13-5-6-14(17)15(11-13)25(23,24)19(2)3/h5-6,11H,4,7-10,12H2,1-3H3,(H,18,22)
InChIKeyRKAUNVHUSYTLEU-UHFFFAOYSA-N
XLogP1.17
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide (CID 3962514) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is RKAUNVHUSYTLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O3S/c1-4-20-7-9-21(10-8-20)12-16(22)18-13-5-6-14(17)15(11-13)25(23,24)19(2)3/h5-6,11H,4,7-10,12H2,1-3H3,(H,18,22).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 388.92 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 3962514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).