2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide

C23H31N3O3S2 — CID 42913997

IUPAC2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3SC)CC2)cc1
InChIInChI=1S/C23H31N3O3S2/c1-4-18(2)19-9-11-20(12-10-19)31(28,29)26-15-13-25(14-16-26)17-23(27)24-21-7-5-6-8-22(21)30-3/h5-12,18H,4,13-17H2,1-3H3,(H,24,27)
InChIKeyZVMVEGKDCHMJOZ-UHFFFAOYSA-N
MW461.65 g/mol
LogP3.87
Rot. Bonds8

About 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide

2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 42913997) has the molecular formula C23H31N3O3S2 and a molecular weight of 461.65 g/mol. Its IUPAC name is 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID42913997
Molecular FormulaC23H31N3O3S2
Molecular Weight461.65 g/mol
Exact Mass461.18
IUPAC Name2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3SC)CC2)cc1
InChIInChI=1S/C23H31N3O3S2/c1-4-18(2)19-9-11-20(12-10-19)31(28,29)26-15-13-25(14-16-26)17-23(27)24-21-7-5-6-8-22(21)30-3/h5-12,18H,4,13-17H2,1-3H3,(H,24,27)
InChIKeyZVMVEGKDCHMJOZ-UHFFFAOYSA-N
XLogP3.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.65
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 42913990
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-butylacetamide
CID 55354283
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2685640
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 4883653
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2655486
N-(2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 7026017
N-(2-bromophenyl)-4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carboxamide
CID 17217976
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 8746898
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 18086210
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 9104805
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8743992
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8743522

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide (CID 42913997) is 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide is CCC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3SC)CC2)cc1.
What is the InChIKey of 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is ZVMVEGKDCHMJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S2/c1-4-18(2)19-9-11-20(12-10-19)31(28,29)26-15-13-25(14-16-26)17-23(27)24-21-7-5-6-8-22(21)30-3/h5-12,18H,4,13-17H2,1-3H3,(H,24,27).
What are the key properties of 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide?
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 461.65 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 42913997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).