(2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide

C22H27N3O5S — CID 51571149

IUPAC(2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H27N3O5S/c1-16-6-10-18(11-7-16)30-15-21(26)23-24-22(27)20-5-3-4-14-25(20)31(28,29)19-12-8-17(2)9-13-19/h6-13,20H,3-5,14-15H2,1-2H3,(H,23,26)(H,24,27)/t20-/m1/s1
InChIKeyQKOSWEZPEOVXPN-HXUWFJFHSA-N
MW445.54 g/mol
LogP2.07
Rot. Bonds6

About (2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide

(2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide (PubChem CID 51571149) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is (2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide.

Molecular Properties

Compound Name(2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide
PubChem CID51571149
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name(2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H27N3O5S/c1-16-6-10-18(11-7-16)30-15-21(26)23-24-22(27)20-5-3-4-14-25(20)31(28,29)19-12-8-17(2)9-13-19/h6-13,20H,3-5,14-15H2,1-2H3,(H,23,26)(H,24,27)/t20-/m1/s1
InChIKeyQKOSWEZPEOVXPN-HXUWFJFHSA-N
XLogP2.07
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide
CID 100814362
[2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 7617627
(2S)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 31641558
[2-(tert-butylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 7617586
(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358
[1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 110395047
1-(4-methoxyphenyl)sulfonyl-N'-(2-phenylacetyl)pyrrolidine-2-carbohydrazide
CID 42916304
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138
N-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18884790
(2S)-1-(4-methylphenyl)sulfonyl-N-[(Z)-(4-propoxyphenyl)methylideneamino]pyrrolidine-2-carboxamide
CID 40877175

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide?
The IUPAC name of (2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide (CID 51571149) is (2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide.
What is the SMILES notation for (2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide?
The canonical SMILES for (2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide is Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide?
The InChIKey is QKOSWEZPEOVXPN-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-16-6-10-18(11-7-16)30-15-21(26)23-24-22(27)20-5-3-4-14-25(20)31(28,29)19-12-8-17(2)9-13-19/h6-13,20H,3-5,14-15H2,1-2H3,(H,23,26)(H,24,27)/t20-/m1/s1.
What are the key properties of (2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide?
(2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide has a molecular weight of 445.54 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide is sourced from PubChem (CID 51571149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).