N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide

C22H29N3O4S — CID 42175822

IUPACN-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide
SMILESCc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)COc3ccccc3)CC2)c1
InChIInChI=1S/C22H29N3O4S/c1-19-7-5-8-20(17-19)24-12-14-25(15-13-24)30(27,28)16-6-11-23-22(26)18-29-21-9-3-2-4-10-21/h2-5,7-10,17H,6,11-16,18H2,1H3,(H,23,26)
InChIKeyURAKZLJQJDWRAE-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.03
Rot. Bonds9

About N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide

N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide (PubChem CID 42175822) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide
PubChem CID42175822
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide
SMILESCc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)COc3ccccc3)CC2)c1
InChIInChI=1S/C22H29N3O4S/c1-19-7-5-8-20(17-19)24-12-14-25(15-13-24)30(27,28)16-6-11-23-22(26)18-29-21-9-3-2-4-10-21/h2-5,7-10,17H,6,11-16,18H2,1H3,(H,23,26)
InChIKeyURAKZLJQJDWRAE-UHFFFAOYSA-N
XLogP2.03
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 25285489
2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 25285504
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175850
2-(3-methylphenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439165
2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175258
2-benzylsulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]acetamide
CID 42175839
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-methylphenoxy)acetamide
CID 41349328
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide
CID 42175849
2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175267
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
4-tert-butyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175781
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]thiophene-2-carboxamide
CID 42175855

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide (CID 42175822) is N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide is Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)COc3ccccc3)CC2)c1.
What is the InChIKey of N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide?
The InChIKey is URAKZLJQJDWRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-19-7-5-8-20(17-19)24-12-14-25(15-13-24)30(27,28)16-6-11-23-22(26)18-29-21-9-3-2-4-10-21/h2-5,7-10,17H,6,11-16,18H2,1H3,(H,23,26).
What are the key properties of N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide?
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide has a molecular weight of 431.56 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide is sourced from PubChem (CID 42175822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).