2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide

C20H23N3O4S — CID 39076123

IUPAC2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide
SMILESO=C(CS(=O)(=O)CC(=O)N1CCN(c2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C20H23N3O4S/c24-19(21-17-7-3-1-4-8-17)15-28(26,27)16-20(25)23-13-11-22(12-14-23)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,24)
InChIKeyIKJLQTPJBMFQAS-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.39
Rot. Bonds6

About 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide

2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide (PubChem CID 39076123) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide
PubChem CID39076123
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide
SMILESO=C(CS(=O)(=O)CC(=O)N1CCN(c2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C20H23N3O4S/c24-19(21-17-7-3-1-4-8-17)15-28(26,27)16-20(25)23-13-11-22(12-14-23)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,24)
InChIKeyIKJLQTPJBMFQAS-UHFFFAOYSA-N
XLogP1.39
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
CID 39076426
N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949450
N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 4596496
N-(3,4-dimethylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949408
2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine
CID 110916862
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 113097467
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 2988409
ethyl 4-[[3-oxo-3-(4-phenylpiperazin-1-yl)propanoyl]amino]benzoate
CID 108949464
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium
CID 9348099
2-isocyano-1-(4-phenylpiperazin-1-yl)ethanone
CID 10900412

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide?
The IUPAC name of 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide (CID 39076123) is 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide?
The canonical SMILES for 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide is O=C(CS(=O)(=O)CC(=O)N1CCN(c2ccccc2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide?
The InChIKey is IKJLQTPJBMFQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c24-19(21-17-7-3-1-4-8-17)15-28(26,27)16-20(25)23-13-11-22(12-14-23)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,24).
What are the key properties of 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide?
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide has a molecular weight of 401.49 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide is sourced from PubChem (CID 39076123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).