methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate

C14H10F3NO4S — CID 4293499

IUPACmethyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO4S/c1-21-13(20)10-6-7-23-12(10)18-11(19)8-2-4-9(5-3-8)22-14(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyGQKQBXGZLGPGAY-UHFFFAOYSA-N
MW345.30 g/mol
LogP3.69
Rot. Bonds4

About methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate

methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate (PubChem CID 4293499) has the molecular formula C14H10F3NO4S and a molecular weight of 345.30 g/mol. Its IUPAC name is methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate
PubChem CID4293499
Molecular FormulaC14H10F3NO4S
Molecular Weight345.30 g/mol
Exact Mass345.03
IUPAC Namemethyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO4S/c1-21-13(20)10-6-7-23-12(10)18-11(19)8-2-4-9(5-3-8)22-14(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyGQKQBXGZLGPGAY-UHFFFAOYSA-N
XLogP3.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate
CID 4053233
methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate
CID 7166904
methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate
CID 7167229
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 8958451
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577
methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 4963798
methyl 2-[(4-tert-butyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 112845819
methyl 3-amino-4-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 122424116
N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 95153133
2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 3356370
methyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate
CID 18558965

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate (CID 4293499) is methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate?
The InChIKey is GQKQBXGZLGPGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO4S/c1-21-13(20)10-6-7-23-12(10)18-11(19)8-2-4-9(5-3-8)22-14(15,16)17/h2-7H,1H3,(H,18,19).
What are the key properties of methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate?
methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate has a molecular weight of 345.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 4293499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).