(3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

C23H26N2O7S — CID 55641866

IUPAC(3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCc3cccc(C(N)=O)c3)CC2)cc1
InChIInChI=1S/C23H26N2O7S/c1-2-31-22(27)17-6-8-20(9-7-17)33(29,30)25-12-10-18(11-13-25)23(28)32-15-16-4-3-5-19(14-16)21(24)26/h3-9,14,18H,2,10-13,15H2,1H3,(H2,24,26)
InChIKeyZYBNXOBLGBTDGP-UHFFFAOYSA-N
MW474.54 g/mol
LogP2.11
Rot. Bonds8

About (3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

(3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 55641866) has the molecular formula C23H26N2O7S and a molecular weight of 474.54 g/mol. Its IUPAC name is (3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID55641866
Molecular FormulaC23H26N2O7S
Molecular Weight474.54 g/mol
Exact Mass474.15
IUPAC Name(3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCc3cccc(C(N)=O)c3)CC2)cc1
InChIInChI=1S/C23H26N2O7S/c1-2-31-22(27)17-6-8-20(9-7-17)33(29,30)25-12-10-18(11-13-25)23(28)32-15-16-4-3-5-19(14-16)21(24)26/h3-9,14,18H,2,10-13,15H2,1H3,(H2,24,26)
InChIKeyZYBNXOBLGBTDGP-UHFFFAOYSA-N
XLogP2.11
TPSA133.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxycarbonylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 42981610
ethyl 4-[4-[(3-carbamoylphenyl)methyl]piperazin-1-yl]sulfonylbenzoate
CID 55634374
2-(3-ethylphenoxy)ethyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 55312272
1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 2405279
(3-carbamoylphenyl)methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 55634452
[3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 123309908
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
ethyl 4-piperidin-1-ylsulfonylbenzoate
CID 1077892
(3-fluorophenyl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 16541300
ethyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 3816303
ethyl 1-[3-(bromomethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 142526639
[3-(dimethylsulfamoyl)phenyl]methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 55320815

Frequently Asked Questions

What is the IUPAC name of (3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of (3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate (CID 55641866) is (3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for (3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for (3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate is CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCc3cccc(C(N)=O)c3)CC2)cc1.
What is the InChIKey of (3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is ZYBNXOBLGBTDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O7S/c1-2-31-22(27)17-6-8-20(9-7-17)33(29,30)25-12-10-18(11-13-25)23(28)32-15-16-4-3-5-19(14-16)21(24)26/h3-9,14,18H,2,10-13,15H2,1H3,(H2,24,26).
What are the key properties of (3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate?
(3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 474.54 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 55641866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).