methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate

C15H12F3NO4S — CID 38750833

IUPACmethyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCc2ccccc2OC(F)(F)F)s1
InChIInChI=1S/C15H12F3NO4S/c1-22-14(21)12-7-6-11(24-12)13(20)19-8-9-4-2-3-5-10(9)23-15(16,17)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyGJAMLASFHAXTOR-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.36
Rot. Bonds5

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

methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate (PubChem CID 38750833) has the molecular formula C15H12F3NO4S and a molecular weight of 359.33 g/mol. Its IUPAC name is methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate
PubChem CID38750833
Molecular FormulaC15H12F3NO4S
Molecular Weight359.33 g/mol
Exact Mass359.04
IUPAC Namemethyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCc2ccccc2OC(F)(F)F)s1
InChIInChI=1S/C15H12F3NO4S/c1-22-14(21)12-7-6-11(24-12)13(20)19-8-9-4-2-3-5-10(9)23-15(16,17)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyGJAMLASFHAXTOR-UHFFFAOYSA-N
XLogP3.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 118112508
2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 124740802
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853
2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 79804940
5-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 118112642
1-diethoxyphosphoryl-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3584248
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 41479006
5-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 118112519
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate (CID 38750833) is methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)NCc2ccccc2OC(F)(F)F)s1.
What is the InChIKey of methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate?
The InChIKey is GJAMLASFHAXTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4S/c1-22-14(21)12-7-6-11(24-12)13(20)19-8-9-4-2-3-5-10(9)23-15(16,17)18/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate?
methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate has a molecular weight of 359.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 38750833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).