N'-(2-fluorophenyl)-N-[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide

C22H26FN3O5S — CID 41195135

IUPACN'-(2-fluorophenyl)-N-[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C22H26FN3O5S/c1-31-17-9-11-18(12-10-17)32(29,30)26-15-5-4-6-16(26)13-14-24-21(27)22(28)25-20-8-3-2-7-19(20)23/h2-3,7-12,16H,4-6,13-15H2,1H3,(H,24,27)(H,25,28)/t16-/m0/s1
InChIKeyRLVJZWCJZZKPBZ-INIZCTEOSA-N
MW463.53 g/mol
LogP2.52
Rot. Bonds7

About N'-(2-fluorophenyl)-N-[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide

N'-(2-fluorophenyl)-N-[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (PubChem CID 41195135) has the molecular formula C22H26FN3O5S and a molecular weight of 463.53 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
PubChem CID41195135
Molecular FormulaC22H26FN3O5S
Molecular Weight463.53 g/mol
Exact Mass463.16
IUPAC NameN'-(2-fluorophenyl)-N-[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C22H26FN3O5S/c1-31-17-9-11-18(12-10-17)32(29,30)26-15-5-4-6-16(26)13-14-24-21(27)22(28)25-20-8-3-2-7-19(20)23/h2-3,7-12,16H,4-6,13-15H2,1H3,(H,24,27)(H,25,28)/t16-/m0/s1
InChIKeyRLVJZWCJZZKPBZ-INIZCTEOSA-N
XLogP2.52
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-fluorophenyl)-N-[2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195131
N'-(2-fluorophenyl)-N-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 16829719
N-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(2-fluorophenyl)oxamide
CID 41194113
N'-(2-cyanophenyl)-N-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 16829718
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-methoxyphenyl)oxamide
CID 16829692
N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(2-methoxyphenyl)oxamide
CID 41194254
N'-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 16829706
N-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 41194125
N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-methylphenyl)oxamide
CID 41196258
N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 41196462
N'-(4-fluorophenyl)-N-[2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194512
N'-[(2-fluorophenyl)methyl]-N-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194687

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N-[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The IUPAC name of N'-(2-fluorophenyl)-N-[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (CID 41195135) is N'-(2-fluorophenyl)-N-[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2-fluorophenyl)-N-[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The canonical SMILES for N'-(2-fluorophenyl)-N-[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is COc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N'-(2-fluorophenyl)-N-[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The InChIKey is RLVJZWCJZZKPBZ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26FN3O5S/c1-31-17-9-11-18(12-10-17)32(29,30)26-15-5-4-6-16(26)13-14-24-21(27)22(28)25-20-8-3-2-7-19(20)23/h2-3,7-12,16H,4-6,13-15H2,1H3,(H,24,27)(H,25,28)/t16-/m0/s1.
What are the key properties of N'-(2-fluorophenyl)-N-[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
N'-(2-fluorophenyl)-N-[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide has a molecular weight of 463.53 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N-[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is sourced from PubChem (CID 41195135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).