benzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate

C19H19FN2O3S — CID 146024085

IUPACbenzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate
SMILESO=C(NC1CN(C(=O)CSc2ccc(F)cc2)C1)OCc1ccccc1
InChIInChI=1S/C19H19FN2O3S/c20-15-6-8-17(9-7-15)26-13-18(23)22-10-16(11-22)21-19(24)25-12-14-4-2-1-3-5-14/h1-9,16H,10-13H2,(H,21,24)
InChIKeyIQRWWQNVVJPWNE-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.06
Rot. Bonds6

About benzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate

benzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate (PubChem CID 146024085) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is benzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate
PubChem CID146024085
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Namebenzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate
SMILESO=C(NC1CN(C(=O)CSc2ccc(F)cc2)C1)OCc1ccccc1
InChIInChI=1S/C19H19FN2O3S/c20-15-6-8-17(9-7-15)26-13-18(23)22-10-16(11-22)21-19(24)25-12-14-4-2-1-3-5-14/h1-9,16H,10-13H2,(H,21,24)
InChIKeyIQRWWQNVVJPWNE-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone
CID 53034648
benzyl N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393591
benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392750
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate
CID 146024159
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate
CID 112545027
benzyl (6S)-3-fluoro-6-(phenylmethoxycarbonylamino)azepane-1-carboxylate
CID 155622687
benzyl 5-(phenylmethoxycarbonylamino)-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 155145710
benzyl N-[(3S)-1-(2-chloroacetyl)piperidin-3-yl]carbamate
CID 66566590
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate?
The IUPAC name of benzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate (CID 146024085) is benzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate is O=C(NC1CN(C(=O)CSc2ccc(F)cc2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate?
The InChIKey is IQRWWQNVVJPWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c20-15-6-8-17(9-7-15)26-13-18(23)22-10-16(11-22)21-19(24)25-12-14-4-2-1-3-5-14/h1-9,16H,10-13H2,(H,21,24).
What are the key properties of benzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate?
benzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate has a molecular weight of 374.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate is sourced from PubChem (CID 146024085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).