ethyl 4-[[3-[(4-methylsulfonylphenyl)methylcarbamoyl]benzoyl]amino]piperidine-1-carboxylate

C24H29N3O6S — CID 59406387

IUPACethyl 4-[[3-[(4-methylsulfonylphenyl)methylcarbamoyl]benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c2)CC1
InChIInChI=1S/C24H29N3O6S/c1-3-33-24(30)27-13-11-20(12-14-27)26-23(29)19-6-4-5-18(15-19)22(28)25-16-17-7-9-21(10-8-17)34(2,31)32/h4-10,15,20H,3,11-14,16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWXGLVXFKAGQDKU-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.37
Rot. Bonds7

About ethyl 4-[[3-[(4-methylsulfonylphenyl)methylcarbamoyl]benzoyl]amino]piperidine-1-carboxylate

ethyl 4-[[3-[(4-methylsulfonylphenyl)methylcarbamoyl]benzoyl]amino]piperidine-1-carboxylate (PubChem CID 59406387) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is ethyl 4-[[3-[(4-methylsulfonylphenyl)methylcarbamoyl]benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-[(4-methylsulfonylphenyl)methylcarbamoyl]benzoyl]amino]piperidine-1-carboxylate
PubChem CID59406387
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Nameethyl 4-[[3-[(4-methylsulfonylphenyl)methylcarbamoyl]benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c2)CC1
InChIInChI=1S/C24H29N3O6S/c1-3-33-24(30)27-13-11-20(12-14-27)26-23(29)19-6-4-5-18(15-19)22(28)25-16-17-7-9-21(10-8-17)34(2,31)32/h4-10,15,20H,3,11-14,16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWXGLVXFKAGQDKU-UHFFFAOYSA-N
XLogP2.37
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
CID 109061890
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[3-(cyclopropylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 109062305
ethyl 4-[(4-methoxy-3-methylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 110413308
ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 32964503
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
CID 42910636
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 31542226
ethyl 4-[[N-ethyl-N'-[[3-(propylcarbamoyl)phenyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111329996

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-[(4-methylsulfonylphenyl)methylcarbamoyl]benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-[(4-methylsulfonylphenyl)methylcarbamoyl]benzoyl]amino]piperidine-1-carboxylate (CID 59406387) is ethyl 4-[[3-[(4-methylsulfonylphenyl)methylcarbamoyl]benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-[(4-methylsulfonylphenyl)methylcarbamoyl]benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-[(4-methylsulfonylphenyl)methylcarbamoyl]benzoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cccc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c2)CC1.
What is the InChIKey of ethyl 4-[[3-[(4-methylsulfonylphenyl)methylcarbamoyl]benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is WXGLVXFKAGQDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-3-33-24(30)27-13-11-20(12-14-27)26-23(29)19-6-4-5-18(15-19)22(28)25-16-17-7-9-21(10-8-17)34(2,31)32/h4-10,15,20H,3,11-14,16H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of ethyl 4-[[3-[(4-methylsulfonylphenyl)methylcarbamoyl]benzoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[3-[(4-methylsulfonylphenyl)methylcarbamoyl]benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 487.58 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-[(4-methylsulfonylphenyl)methylcarbamoyl]benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 59406387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).