2-cyclopentyl-N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]propanamide

C20H31N3O3S — CID 110353277

IUPAC2-cyclopentyl-N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]propanamide
SMILESCCS(=O)(=O)N1CCN(c2ccc(NC(=O)C(C)C3CCCC3)cc2)CC1
InChIInChI=1S/C20H31N3O3S/c1-3-27(25,26)23-14-12-22(13-15-23)19-10-8-18(9-11-19)21-20(24)16(2)17-6-4-5-7-17/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,21,24)
InChIKeyYNZYHYWMODLHDK-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.92
Rot. Bonds6

About 2-cyclopentyl-N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]propanamide

2-cyclopentyl-N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]propanamide (PubChem CID 110353277) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]propanamide
PubChem CID110353277
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name2-cyclopentyl-N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]propanamide
SMILESCCS(=O)(=O)N1CCN(c2ccc(NC(=O)C(C)C3CCCC3)cc2)CC1
InChIInChI=1S/C20H31N3O3S/c1-3-27(25,26)23-14-12-22(13-15-23)19-10-8-18(9-11-19)21-20(24)16(2)17-6-4-5-7-17/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,21,24)
InChIKeyYNZYHYWMODLHDK-UHFFFAOYSA-N
XLogP2.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110621086
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772
1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine
CID 113079021
ethyl 2-[4-(4-cyclopentylpiperazin-1-yl)anilino]-2-oxoacetate
CID 112502760
3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 62727759
(2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7928372
2-acetamido-2-cyclopentyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 42924063
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630279
N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108505990
(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178
4-[2-(oxan-4-yl)propanoylamino]benzoic acid
CID 120684653

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 2-cyclopentyl-N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]propanamide (CID 110353277) is 2-cyclopentyl-N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-cyclopentyl-N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]propanamide is CCS(=O)(=O)N1CCN(c2ccc(NC(=O)C(C)C3CCCC3)cc2)CC1.
What is the InChIKey of 2-cyclopentyl-N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is YNZYHYWMODLHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-3-27(25,26)23-14-12-22(13-15-23)19-10-8-18(9-11-19)21-20(24)16(2)17-6-4-5-7-17/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,21,24).
What are the key properties of 2-cyclopentyl-N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]propanamide?
2-cyclopentyl-N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 393.55 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 110353277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).