methyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate

C15H14FNO3S — CID 134047005

IUPACmethyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(C)Cc2ccccc2F)s1
InChIInChI=1S/C15H14FNO3S/c1-17(9-10-5-3-4-6-11(10)16)14(18)12-7-8-13(21-12)15(19)20-2/h3-8H,9H2,1-2H3
InChIKeyWHWXDUYRIVIBKU-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.95
Rot. Bonds4

About methyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate

methyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate (PubChem CID 134047005) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate
PubChem CID134047005
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Namemethyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(C)Cc2ccccc2F)s1
InChIInChI=1S/C15H14FNO3S/c1-17(9-10-5-3-4-6-11(10)16)14(18)12-7-8-13(21-12)15(19)20-2/h3-8H,9H2,1-2H3
InChIKeyWHWXDUYRIVIBKU-UHFFFAOYSA-N
XLogP2.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4787297
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
methyl 5-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]thiophene-2-carboxylate
CID 47143664
methyl 5-[(1,3-diphenylpyrazol-4-yl)methyl-methylcarbamoyl]thiophene-2-carboxylate
CID 35187589
N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 4780408
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
methyl 2-ethyl-5-[(2-fluorophenyl)methyl-methylcarbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 31138635
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385
N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 60628184
3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 2546525

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate (CID 134047005) is methyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)N(C)Cc2ccccc2F)s1.
What is the InChIKey of methyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate?
The InChIKey is WHWXDUYRIVIBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-17(9-10-5-3-4-6-11(10)16)14(18)12-7-8-13(21-12)15(19)20-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate?
methyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 134047005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).