N-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide

C20H30N4O4S — CID 55939164

IUPACN-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C20H30N4O4S/c1-15(20(26)24-13-11-23(12-14-24)18-5-3-4-6-18)22-29(27,28)19-9-7-17(8-10-19)21-16(2)25/h7-10,15,18,22H,3-6,11-14H2,1-2H3,(H,21,25)/t15-/m0/s1
InChIKeyAJHRTBYTXLTPCE-HNNXBMFYSA-N
MW422.55 g/mol
LogP1.40
Rot. Bonds6

About N-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 55939164) has the molecular formula C20H30N4O4S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID55939164
Molecular FormulaC20H30N4O4S
Molecular Weight422.55 g/mol
Exact Mass422.20
IUPAC NameN-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C20H30N4O4S/c1-15(20(26)24-13-11-23(12-14-24)18-5-3-4-6-18)22-29(27,28)19-9-7-17(8-10-19)21-16(2)25/h7-10,15,18,22H,3-6,11-14H2,1-2H3,(H,21,25)/t15-/m0/s1
InChIKeyAJHRTBYTXLTPCE-HNNXBMFYSA-N
XLogP1.40
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(2S)-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 55955686
2-[4-[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55936116
1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid
CID 119354774
N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride
CID 119468711
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-[4-[[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]acetamide
CID 67394155
4-chloro-N-[(2S)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 55942738
4-chloro-N-[(2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 56511808
N-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide
CID 86815509
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
N-[4-[[(2S)-1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39011050
N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 55942405

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide (CID 55939164) is N-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of N-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is AJHRTBYTXLTPCE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H30N4O4S/c1-15(20(26)24-13-11-23(12-14-24)18-5-3-4-6-18)22-29(27,28)19-9-7-17(8-10-19)21-16(2)25/h7-10,15,18,22H,3-6,11-14H2,1-2H3,(H,21,25)/t15-/m0/s1.
What are the key properties of N-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 422.55 g/mol, XLogP of 1.40, 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-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 55939164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).