N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide

C21H27N3O3S — CID 9393646

IUPACN-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-2-6-18-9-11-20(12-10-18)28(26,27)24-15-13-23(14-16-24)17-21(25)22-19-7-4-3-5-8-19/h3-5,7-12H,2,6,13-17H2,1H3,(H,22,25)
InChIKeyJGBVMVQXZPSXOG-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.58
Rot. Bonds7

About N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide

N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 9393646) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID9393646
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-2-6-18-9-11-20(12-10-18)28(26,27)24-15-13-23(14-16-24)17-21(25)22-19-7-4-3-5-8-19/h3-5,7-12H,2,6,13-17H2,1H3,(H,22,25)
InChIKeyJGBVMVQXZPSXOG-UHFFFAOYSA-N
XLogP2.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-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

Related Compounds

N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 55411242
N-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 112769574
N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9393645
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 9104917
N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393707
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747486
N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8678550
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1094963
2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 3229482
1-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-3-phenylthiourea
CID 3400826
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,6-diethylphenyl)acetamide
CID 6466721

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 9393646) is N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide is CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is JGBVMVQXZPSXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-2-6-18-9-11-20(12-10-18)28(26,27)24-15-13-23(14-16-24)17-21(25)22-19-7-4-3-5-8-19/h3-5,7-12H,2,6,13-17H2,1H3,(H,22,25).
What are the key properties of N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 401.53 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 9393646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).