N-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide

C21H24N4O5S — CID 86815509

IUPACN-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3)C(=O)C2)cc1
InChIInChI=1S/C21H24N4O5S/c1-15(23-31(29,30)19-10-8-17(9-11-19)22-16(2)26)21(28)24-12-13-25(20(27)14-24)18-6-4-3-5-7-18/h3-11,15,23H,12-14H2,1-2H3,(H,22,26)/t15-/m0/s1
InChIKeyULMISFUOLHSNMN-HNNXBMFYSA-N
MW444.51 g/mol
LogP1.19
Rot. Bonds6

About N-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 86815509) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID86815509
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC NameN-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3)C(=O)C2)cc1
InChIInChI=1S/C21H24N4O5S/c1-15(23-31(29,30)19-10-8-17(9-11-19)22-16(2)26)21(28)24-12-13-25(20(27)14-24)18-6-4-3-5-7-18/h3-11,15,23H,12-14H2,1-2H3,(H,22,26)/t15-/m0/s1
InChIKeyULMISFUOLHSNMN-HNNXBMFYSA-N
XLogP1.19
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55936116
N-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 55939164
1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid
CID 119354774
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide
CID 78087226
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 120657511
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 38810187
N-[4-[[(2S)-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 55955686
4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one
CID 70710183
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide (CID 86815509) is N-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3)C(=O)C2)cc1.
What is the InChIKey of N-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is ULMISFUOLHSNMN-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-15(23-31(29,30)19-10-8-17(9-11-19)22-16(2)26)21(28)24-12-13-25(20(27)14-24)18-6-4-3-5-7-18/h3-11,15,23H,12-14H2,1-2H3,(H,22,26)/t15-/m0/s1.
What are the key properties of N-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 444.51 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 86815509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).