ethyl 1-[2-[N-(benzenesulfonyl)anilino]acetyl]piperidine-4-carboxylate

C22H26N2O5S — CID 3923929

IUPACethyl 1-[2-[N-(benzenesulfonyl)anilino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O5S/c1-2-29-22(26)18-13-15-23(16-14-18)21(25)17-24(19-9-5-3-6-10-19)30(27,28)20-11-7-4-8-12-20/h3-12,18H,2,13-17H2,1H3
InChIKeyFYNBYTRDJAHOBT-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.68
Rot. Bonds7

About ethyl 1-[2-[N-(benzenesulfonyl)anilino]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[N-(benzenesulfonyl)anilino]acetyl]piperidine-4-carboxylate (PubChem CID 3923929) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is ethyl 1-[2-[N-(benzenesulfonyl)anilino]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[N-(benzenesulfonyl)anilino]acetyl]piperidine-4-carboxylate
PubChem CID3923929
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Nameethyl 1-[2-[N-(benzenesulfonyl)anilino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O5S/c1-2-29-22(26)18-13-15-23(16-14-18)21(25)17-24(19-9-5-3-6-10-19)30(27,28)20-11-7-4-8-12-20/h3-12,18H,2,13-17H2,1H3
InChIKeyFYNBYTRDJAHOBT-UHFFFAOYSA-N
XLogP2.68
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[N-(benzenesulfonyl)anilino]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[N-(benzenesulfonyl)anilino]acetyl]piperidine-4-carboxylate (CID 3923929) is ethyl 1-[2-[N-(benzenesulfonyl)anilino]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[N-(benzenesulfonyl)anilino]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[N-(benzenesulfonyl)anilino]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of ethyl 1-[2-[N-(benzenesulfonyl)anilino]acetyl]piperidine-4-carboxylate?
The InChIKey is FYNBYTRDJAHOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-2-29-22(26)18-13-15-23(16-14-18)21(25)17-24(19-9-5-3-6-10-19)30(27,28)20-11-7-4-8-12-20/h3-12,18H,2,13-17H2,1H3.
What are the key properties of ethyl 1-[2-[N-(benzenesulfonyl)anilino]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[N-(benzenesulfonyl)anilino]acetyl]piperidine-4-carboxylate has a molecular weight of 430.53 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[N-(benzenesulfonyl)anilino]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 3923929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).