N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide

C21H31N3O4S — CID 30126755

IUPACN-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide
SMILESO=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C21H31N3O4S/c25-20(21(26)24-15-5-2-6-16-24)22-14-13-17-9-11-19(12-10-17)29(27,28)23-18-7-3-1-4-8-18/h9-12,18,23H,1-8,13-16H2,(H,22,25)
InChIKeyJROXGMOOBHOTQR-UHFFFAOYSA-N
MW421.56 g/mol
LogP1.97
Rot. Bonds6

About N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide

N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide (PubChem CID 30126755) has the molecular formula C21H31N3O4S and a molecular weight of 421.56 g/mol. Its IUPAC name is N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide
PubChem CID30126755
Molecular FormulaC21H31N3O4S
Molecular Weight421.56 g/mol
Exact Mass421.20
IUPAC NameN-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide
SMILESO=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C21H31N3O4S/c25-20(21(26)24-15-5-2-6-16-24)22-14-13-17-9-11-19(12-10-17)29(27,28)23-18-7-3-1-4-8-18/h9-12,18,23H,1-8,13-16H2,(H,22,25)
InChIKeyJROXGMOOBHOTQR-UHFFFAOYSA-N
XLogP1.97
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282
N'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide
CID 30127102
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 30126683
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide
CID 30127509
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide
CID 30127006
3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide
CID 108759314
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
CID 108736292
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 45374111
N-cyclohexyl-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110407179

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide?
The IUPAC name of N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide (CID 30126755) is N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide is O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)N1CCCCC1.
What is the InChIKey of N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide?
The InChIKey is JROXGMOOBHOTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4S/c25-20(21(26)24-15-5-2-6-16-24)22-14-13-17-9-11-19(12-10-17)29(27,28)23-18-7-3-1-4-8-18/h9-12,18,23H,1-8,13-16H2,(H,22,25).
What are the key properties of N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide?
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide has a molecular weight of 421.56 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide is sourced from PubChem (CID 30126755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).