benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate

C19H26N2O5S — CID 90593963

IUPACbenzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate
SMILESO=C(NCC(=O)N1CC(S(=O)(=O)C2CCCCC2)C1)OCc1ccccc1
InChIInChI=1S/C19H26N2O5S/c22-18(11-20-19(23)26-14-15-7-3-1-4-8-15)21-12-17(13-21)27(24,25)16-9-5-2-6-10-16/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,20,23)
InChIKeyFDHVWULQOGPEGQ-UHFFFAOYSA-N
MW394.49 g/mol
LogP1.87
Rot. Bonds6

About benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate

benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate (PubChem CID 90593963) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate
PubChem CID90593963
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Namebenzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate
SMILESO=C(NCC(=O)N1CC(S(=O)(=O)C2CCCCC2)C1)OCc1ccccc1
InChIInChI=1S/C19H26N2O5S/c22-18(11-20-19(23)26-14-15-7-3-1-4-8-15)21-12-17(13-21)27(24,25)16-9-5-2-6-10-16/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,20,23)
InChIKeyFDHVWULQOGPEGQ-UHFFFAOYSA-N
XLogP1.87
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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benzyl N-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]carbamate
CID 91814583
1-(3-cyclohexylsulfonylazetidin-1-yl)-4-phenylbutane-1,4-dione
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benzyl N-cyclohexylsulfonylcarbamate
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benzyl N-[2-[(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]carbamate
CID 98193021
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benzyl N-[2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-2-oxoethyl]carbamate
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benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
benzyl N-[2-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-oxoethyl]carbamate
CID 122273339
benzyl N-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]carbamate
CID 95338572

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate (CID 90593963) is benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate is O=C(NCC(=O)N1CC(S(=O)(=O)C2CCCCC2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate?
The InChIKey is FDHVWULQOGPEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c22-18(11-20-19(23)26-14-15-7-3-1-4-8-15)21-12-17(13-21)27(24,25)16-9-5-2-6-10-16/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,20,23).
What are the key properties of benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate?
benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate has a molecular weight of 394.49 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 90593963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).