5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide

C22H28ClN3O5S — CID 42175671

IUPAC5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cc(Cl)ccc3OC)CC2)cc1
InChIInChI=1S/C22H28ClN3O5S/c1-30-19-7-5-18(6-8-19)25-11-13-26(14-12-25)32(28,29)15-3-10-24-22(27)20-16-17(23)4-9-21(20)31-2/h4-9,16H,3,10-15H2,1-2H3,(H,24,27)
InChIKeyIEZBITKBJSVXRT-UHFFFAOYSA-N
MW482.00 g/mol
LogP2.63
Rot. Bonds9

About 5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide

5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide (PubChem CID 42175671) has the molecular formula C22H28ClN3O5S and a molecular weight of 482.00 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide
PubChem CID42175671
Molecular FormulaC22H28ClN3O5S
Molecular Weight482.00 g/mol
Exact Mass481.14
IUPAC Name5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cc(Cl)ccc3OC)CC2)cc1
InChIInChI=1S/C22H28ClN3O5S/c1-30-19-7-5-18(6-8-19)25-11-13-26(14-12-25)32(28,29)15-3-10-24-22(27)20-16-17(23)4-9-21(20)31-2/h4-9,16H,3,10-15H2,1-2H3,(H,24,27)
InChIKeyIEZBITKBJSVXRT-UHFFFAOYSA-N
XLogP2.63
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.00
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide 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

5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide
CID 22578842
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-methylsulfanylbenzamide
CID 42175730
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide
CID 42175689
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-3,3-dimethylbutanamide
CID 42175622
2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16812488
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 16890087
3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175212
1-(3-chloropropylsulfonyl)-4-(4-methoxyphenyl)piperazine
CID 43654044
2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175526

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide (CID 42175671) is 5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide is COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cc(Cl)ccc3OC)CC2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide?
The InChIKey is IEZBITKBJSVXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O5S/c1-30-19-7-5-18(6-8-19)25-11-13-26(14-12-25)32(28,29)15-3-10-24-22(27)20-16-17(23)4-9-21(20)31-2/h4-9,16H,3,10-15H2,1-2H3,(H,24,27).
What are the key properties of 5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide?
5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide has a molecular weight of 482.00 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide is sourced from PubChem (CID 42175671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).