2-(4-fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid

C15H16FNO2S — CID 68906190

IUPAC2-(4-fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid
SMILESCc1ccsc1CN(CCc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H16FNO2S/c1-11-7-9-20-14(11)10-17(15(18)19)8-6-12-2-4-13(16)5-3-12/h2-5,7,9H,6,8,10H2,1H3,(H,18,19)
InChIKeyWEVKUUWSTQVIBG-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.92
Rot. Bonds5

About 2-(4-fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid

2-(4-fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid (PubChem CID 68906190) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid
PubChem CID68906190
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name2-(4-fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid
SMILESCc1ccsc1CN(CCc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H16FNO2S/c1-11-7-9-20-14(11)10-17(15(18)19)8-6-12-2-4-13(16)5-3-12/h2-5,7,9H,6,8,10H2,1H3,(H,18,19)
InChIKeyWEVKUUWSTQVIBG-UHFFFAOYSA-N
XLogP3.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid?
The IUPAC name of 2-(4-fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid (CID 68906190) is 2-(4-fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid.
What is the SMILES notation for 2-(4-fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid?
The canonical SMILES for 2-(4-fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid is Cc1ccsc1CN(CCc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-(4-fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid?
The InChIKey is WEVKUUWSTQVIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-11-7-9-20-14(11)10-17(15(18)19)8-6-12-2-4-13(16)5-3-12/h2-5,7,9H,6,8,10H2,1H3,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid?
2-(4-fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid has a molecular weight of 293.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid is sourced from PubChem (CID 68906190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).