methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate

C21H26N2O5S — CID 22907089

IUPACmethyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate
SMILESCOC(=O)C1(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)CCNCC1
InChIInChI=1S/C21H26N2O5S/c1-27-18-8-10-19(11-9-18)29(25,26)23(16-17-6-4-3-5-7-17)21(20(24)28-2)12-14-22-15-13-21/h3-11,22H,12-16H2,1-2H3
InChIKeyKSLGZWRVSYRMEQ-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.18
Rot. Bonds7

About methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate

methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate (PubChem CID 22907089) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate
PubChem CID22907089
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Namemethyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate
SMILESCOC(=O)C1(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)CCNCC1
InChIInChI=1S/C21H26N2O5S/c1-27-18-8-10-19(11-9-18)29(25,26)23(16-17-6-4-3-5-7-17)21(20(24)28-2)12-14-22-15-13-21/h3-11,22H,12-16H2,1-2H3
InChIKeyKSLGZWRVSYRMEQ-UHFFFAOYSA-N
XLogP2.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxycyclopentane-1-carboxamide
CID 22907056
4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide
CID 22907066
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
4-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide
CID 10289745
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 27001178
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 3318426
methyl 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-bromobenzoate
CID 57229628
N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
CID 141361158

Frequently Asked Questions

What is the IUPAC name of methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate?
The IUPAC name of methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate (CID 22907089) is methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate?
The canonical SMILES for methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate is COC(=O)C1(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)CCNCC1.
What is the InChIKey of methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate?
The InChIKey is KSLGZWRVSYRMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-27-18-8-10-19(11-9-18)29(25,26)23(16-17-6-4-3-5-7-17)21(20(24)28-2)12-14-22-15-13-21/h3-11,22H,12-16H2,1-2H3.
What are the key properties of methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate?
methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate has a molecular weight of 418.52 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate is sourced from PubChem (CID 22907089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).