N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide

C20H28ClN3O4S — CID 41195965

IUPACN-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide
SMILESO=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C20H28ClN3O4S/c21-15-8-10-18(11-9-15)29(27,28)24-14-4-3-7-17(24)12-13-22-19(25)20(26)23-16-5-1-2-6-16/h8-11,16-17H,1-7,12-14H2,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyQRMLEUYKSOXWQU-KRWDZBQOSA-N
MW441.98 g/mol
LogP2.45
Rot. Bonds6

About N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide

N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide (PubChem CID 41195965) has the molecular formula C20H28ClN3O4S and a molecular weight of 441.98 g/mol. Its IUPAC name is N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide
PubChem CID41195965
Molecular FormulaC20H28ClN3O4S
Molecular Weight441.98 g/mol
Exact Mass441.15
IUPAC NameN-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide
SMILESO=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C20H28ClN3O4S/c21-15-8-10-18(11-9-15)29(27,28)24-14-4-3-7-17(24)12-13-22-19(25)20(26)23-16-5-1-2-6-16/h8-11,16-17H,1-7,12-14H2,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyQRMLEUYKSOXWQU-KRWDZBQOSA-N
XLogP2.45
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.98
LogP ≤ 52.45
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

N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195983
N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide
CID 41196002
N'-benzyl-N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195957
N'-[(4-chlorophenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574366
N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2,6-dimethylphenyl)oxamide
CID 41196224
N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-methylphenyl)oxamide
CID 41196258
N-methyl-N'-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 7280451
N'-cyclopentyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 16829734
1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 41194713
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide
CID 16822634
N'-cyclopentyl-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286154
N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide
CID 7280249

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide?
The IUPAC name of N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide (CID 41195965) is N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide.
What is the SMILES notation for N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide?
The canonical SMILES for N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide is O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCC1.
What is the InChIKey of N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide?
The InChIKey is QRMLEUYKSOXWQU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28ClN3O4S/c21-15-8-10-18(11-9-15)29(27,28)24-14-4-3-7-17(24)12-13-22-19(25)20(26)23-16-5-1-2-6-16/h8-11,16-17H,1-7,12-14H2,(H,22,25)(H,23,26)/t17-/m0/s1.
What are the key properties of N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide?
N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide has a molecular weight of 441.98 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide is sourced from PubChem (CID 41195965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).