N-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide

C20H23N3O4S — CID 1151697

IUPACN-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O4S/c1-16(24)21-18-7-9-19(10-8-18)28(26,27)23-13-11-22(12-14-23)20(25)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,24)
InChIKeyMCLKGLONUHZGGI-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.72
Rot. Bonds5

About N-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 1151697) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID1151697
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O4S/c1-16(24)21-18-7-9-19(10-8-18)28(26,27)23-13-11-22(12-14-23)20(25)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,24)
InChIKeyMCLKGLONUHZGGI-UHFFFAOYSA-N
XLogP1.72
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 1151697) is N-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is MCLKGLONUHZGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-16(24)21-18-7-9-19(10-8-18)28(26,27)23-13-11-22(12-14-23)20(25)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,24).
What are the key properties of N-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 401.49 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 1151697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).