ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate

C19H28N4O6S — CID 24554008

IUPACethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H28N4O6S/c1-3-29-19(26)23-10-8-15(9-11-23)22-18(25)12-20-17(24)13-21-30(27,28)16-6-4-14(2)5-7-16/h4-7,15,21H,3,8-13H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyPWQNOJKXIPWBNC-UHFFFAOYSA-N
MW440.52 g/mol
LogP0.13
Rot. Bonds8

About ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate (PubChem CID 24554008) has the molecular formula C19H28N4O6S and a molecular weight of 440.52 g/mol. Its IUPAC name is ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate
PubChem CID24554008
Molecular FormulaC19H28N4O6S
Molecular Weight440.52 g/mol
Exact Mass440.17
IUPAC Nameethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H28N4O6S/c1-3-29-19(26)23-10-8-15(9-11-23)22-18(25)12-20-17(24)13-21-30(27,28)16-6-4-14(2)5-7-16/h4-7,15,21H,3,8-13H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyPWQNOJKXIPWBNC-UHFFFAOYSA-N
XLogP0.13
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24660116
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24665941
ethyl 4-[[N'-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111327625
[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061234
2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 6457026
2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 9035264
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945526
ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate
CID 51193856
ethyl 4-[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111330086
ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108891194

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate (CID 24554008) is ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is PWQNOJKXIPWBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O6S/c1-3-29-19(26)23-10-8-15(9-11-23)22-18(25)12-20-17(24)13-21-30(27,28)16-6-4-14(2)5-7-16/h4-7,15,21H,3,8-13H2,1-2H3,(H,20,24)(H,22,25).
What are the key properties of ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 440.52 g/mol, XLogP of 0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 24554008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).