N-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide

C25H29N3O3S2 — CID 15993244

IUPACN-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide
SMILESCc1ccc(C)c(N2CCN(C(=O)C(Cc3ccccc3)NS(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C25H29N3O3S2/c1-19-10-11-20(2)23(17-19)27-12-14-28(15-13-27)25(29)22(18-21-7-4-3-5-8-21)26-33(30,31)24-9-6-16-32-24/h3-11,16-17,22,26H,12-15,18H2,1-2H3
InChIKeyXHEHAMYQHMASRH-UHFFFAOYSA-N
MW483.66 g/mol
LogP3.60
Rot. Bonds7

About N-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide

N-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide (PubChem CID 15993244) has the molecular formula C25H29N3O3S2 and a molecular weight of 483.66 g/mol. Its IUPAC name is N-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide
PubChem CID15993244
Molecular FormulaC25H29N3O3S2
Molecular Weight483.66 g/mol
Exact Mass483.17
IUPAC NameN-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide
SMILESCc1ccc(C)c(N2CCN(C(=O)C(Cc3ccccc3)NS(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C25H29N3O3S2/c1-19-10-11-20(2)23(17-19)27-12-14-28(15-13-27)25(29)22(18-21-7-4-3-5-8-21)26-33(30,31)24-9-6-16-32-24/h3-11,16-17,22,26H,12-15,18H2,1-2H3
InChIKeyXHEHAMYQHMASRH-UHFFFAOYSA-N
XLogP3.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.66
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide 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-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide (CID 15993244) is N-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide is Cc1ccc(C)c(N2CCN(C(=O)C(Cc3ccccc3)NS(=O)(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide?
The InChIKey is XHEHAMYQHMASRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S2/c1-19-10-11-20(2)23(17-19)27-12-14-28(15-13-27)25(29)22(18-21-7-4-3-5-8-21)26-33(30,31)24-9-6-16-32-24/h3-11,16-17,22,26H,12-15,18H2,1-2H3.
What are the key properties of N-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide?
N-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide has a molecular weight of 483.66 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 15993244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).