ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate

C14H14FNO2S — CID 60664930

IUPACethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
SMILESCCOC(=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C14H14FNO2S/c1-2-18-14(17)16-13(12-4-3-9-19-12)10-5-7-11(15)8-6-10/h3-9,13H,2H2,1H3,(H,16,17)
InChIKeySFYYFZCUGFMCMD-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.72
Rot. Bonds4

About ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate

ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate (PubChem CID 60664930) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
PubChem CID60664930
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Nameethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
SMILESCCOC(=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C14H14FNO2S/c1-2-18-14(17)16-13(12-4-3-9-19-12)10-5-7-11(15)8-6-10/h3-9,13H,2H2,1H3,(H,16,17)
InChIKeySFYYFZCUGFMCMD-UHFFFAOYSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium
CID 8792453
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
4-O-ethyl 2-O-[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 46606219
2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41442393
[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 4-oxopentanoate
CID 9199170
[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 9290917
methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate
CID 94176340
1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea
CID 17499433
1-O-ethyl 3-O-[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate
CID 55402001
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 18279784

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate?
The IUPAC name of ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate (CID 60664930) is ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate.
What is the SMILES notation for ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate?
The canonical SMILES for ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate is CCOC(=O)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate?
The InChIKey is SFYYFZCUGFMCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-2-18-14(17)16-13(12-4-3-9-19-12)10-5-7-11(15)8-6-10/h3-9,13H,2H2,1H3,(H,16,17).
What are the key properties of ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate?
ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate is sourced from PubChem (CID 60664930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).