N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide

C20H30ClN3O4S — CID 41196002

IUPACN-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H30ClN3O4S/c1-15(2)10-12-22-19(25)20(26)23-13-11-17-5-3-4-14-24(17)29(27,28)18-8-6-16(21)7-9-18/h6-9,15,17H,3-5,10-14H2,1-2H3,(H,22,25)(H,23,26)/t17-/m1/s1
InChIKeySBHOSSWROWMLAV-QGZVFWFLSA-N
MW444.00 g/mol
LogP2.55
Rot. Bonds8

About N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide

N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide (PubChem CID 41196002) has the molecular formula C20H30ClN3O4S and a molecular weight of 444.00 g/mol. Its IUPAC name is N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide
PubChem CID41196002
Molecular FormulaC20H30ClN3O4S
Molecular Weight444.00 g/mol
Exact Mass443.16
IUPAC NameN-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H30ClN3O4S/c1-15(2)10-12-22-19(25)20(26)23-13-11-17-5-3-4-14-24(17)29(27,28)18-8-6-16(21)7-9-18/h6-9,15,17H,3-5,10-14H2,1-2H3,(H,22,25)(H,23,26)/t17-/m1/s1
InChIKeySBHOSSWROWMLAV-QGZVFWFLSA-N
XLogP2.55
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.00
LogP ≤ 52.55
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'-(3-methylbutyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574370
N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide
CID 41195965
N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195983
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
1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 3219681
N-[2-[(2S)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-methylpropyl)oxamide
CID 11893493
N-methyl-N'-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 7280451
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide?
The IUPAC name of N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide (CID 41196002) is N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide.
What is the SMILES notation for N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide?
The canonical SMILES for N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide is CC(C)CCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide?
The InChIKey is SBHOSSWROWMLAV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30ClN3O4S/c1-15(2)10-12-22-19(25)20(26)23-13-11-17-5-3-4-14-24(17)29(27,28)18-8-6-16(21)7-9-18/h6-9,15,17H,3-5,10-14H2,1-2H3,(H,22,25)(H,23,26)/t17-/m1/s1.
What are the key properties of N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide?
N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide has a molecular weight of 444.00 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide is sourced from PubChem (CID 41196002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).