tert-butyl N-[(3-fluoro-5-thiophen-3-ylphenyl)methyl]carbamate

C16H18FNO2S — CID 170765784

IUPACtert-butyl N-[(3-fluoro-5-thiophen-3-ylphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(F)cc(-c2ccsc2)c1
InChIInChI=1S/C16H18FNO2S/c1-16(2,3)20-15(19)18-9-11-6-13(8-14(17)7-11)12-4-5-21-10-12/h4-8,10H,9H2,1-3H3,(H,18,19)
InChIKeyUJDICAPTSGSUOX-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.58
Rot. Bonds3

About tert-butyl N-[(3-fluoro-5-thiophen-3-ylphenyl)methyl]carbamate

tert-butyl N-[(3-fluoro-5-thiophen-3-ylphenyl)methyl]carbamate (PubChem CID 170765784) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl N-[(3-fluoro-5-thiophen-3-ylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-fluoro-5-thiophen-3-ylphenyl)methyl]carbamate
PubChem CID170765784
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Nametert-butyl N-[(3-fluoro-5-thiophen-3-ylphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(F)cc(-c2ccsc2)c1
InChIInChI=1S/C16H18FNO2S/c1-16(2,3)20-15(19)18-9-11-6-13(8-14(17)7-11)12-4-5-21-10-12/h4-8,10H,9H2,1-3H3,(H,18,19)
InChIKeyUJDICAPTSGSUOX-UHFFFAOYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 3-[(3-thiophen-2-ylphenyl)methylamino]azetidine-1-carboxylate
CID 134789196
methyl N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]carbamate
CID 134802086
tert-butyl N-[1-(4-fluorophenyl)-4-oxo-4-thiophen-2-ylbutyl]carbamate
CID 21350375
tert-butyl N-[4-(2,6-difluorophenyl)-1-(3-methylthiophen-2-yl)-4-oxobutyl]carbamate
CID 58817495
tert-butyl N-[4-(2,6-difluorophenyl)-4-oxo-1-thiophen-2-ylbutyl]carbamate
CID 58817497
N-t-Butoxycarbonyl-(4-fluoro-2-(methylthio)phenyl)methanamine
CID 58962309
tert-butyl N-[(3R)-3-[4-[[(4-fluorophenyl)-thiophen-3-ylmethyl]amino]piperidin-1-yl]butyl]carbamate
CID 68970757
(2-Fluoro-4-methylsulfanyl-benzyl)-carbamic acid tert-butyl ester
CID 86711630
[(2-Fluorophenyl)-thiophen-2-ylmethyl]carbamic acid
CID 90860633
[(3-Fluorophenyl)-thiophen-3-ylmethyl]carbamic acid
CID 91096527
[(2-Fluorophenyl)-thiophen-3-ylmethyl]carbamic acid
CID 91266835
[(3-Fluorophenyl)-thiophen-2-ylmethyl]carbamic acid
CID 91358283

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-fluoro-5-thiophen-3-ylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-fluoro-5-thiophen-3-ylphenyl)methyl]carbamate (CID 170765784) is tert-butyl N-[(3-fluoro-5-thiophen-3-ylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-fluoro-5-thiophen-3-ylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-fluoro-5-thiophen-3-ylphenyl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cc(F)cc(-c2ccsc2)c1.
What is the InChIKey of tert-butyl N-[(3-fluoro-5-thiophen-3-ylphenyl)methyl]carbamate?
The InChIKey is UJDICAPTSGSUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-16(2,3)20-15(19)18-9-11-6-13(8-14(17)7-11)12-4-5-21-10-12/h4-8,10H,9H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[(3-fluoro-5-thiophen-3-ylphenyl)methyl]carbamate?
tert-butyl N-[(3-fluoro-5-thiophen-3-ylphenyl)methyl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-fluoro-5-thiophen-3-ylphenyl)methyl]carbamate is sourced from PubChem (CID 170765784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).