ethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate

C20H24N2O4S — CID 55915043

IUPACethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C20H24N2O4S/c1-2-26-20(23)21-17-11-8-14-22(15-17)27(24,25)19-13-7-6-12-18(19)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,2,8,11,14-15H2,1H3,(H,21,23)
InChIKeyIARSJINNWKCVPQ-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.25
Rot. Bonds5

About ethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate

ethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate (PubChem CID 55915043) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is ethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate
PubChem CID55915043
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Nameethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C20H24N2O4S/c1-2-26-20(23)21-17-11-8-14-22(15-17)27(24,25)19-13-7-6-12-18(19)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,2,8,11,14-15H2,1H3,(H,21,23)
InChIKeyIARSJINNWKCVPQ-UHFFFAOYSA-N
XLogP3.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984251
ethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate
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ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate
CID 94825031
1-(2-phenylphenyl)sulfonylpyrrolidine
CID 51112991
ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate
CID 81239319
ethyl (3S)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 81307471
ethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate
CID 78886586
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate (CID 55915043) is ethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2)C1.
What is the InChIKey of ethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate?
The InChIKey is IARSJINNWKCVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-26-20(23)21-17-11-8-14-22(15-17)27(24,25)19-13-7-6-12-18(19)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,2,8,11,14-15H2,1H3,(H,21,23).
What are the key properties of ethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate?
ethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate has a molecular weight of 388.49 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate is sourced from PubChem (CID 55915043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).