ethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate

C16H15F2NO4S — CID 4813440

IUPACethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(OC(F)F)cc2)cc1C
InChIInChI=1S/C16H15F2NO4S/c1-3-22-15(21)13-9(2)8-12(24-13)19-14(20)10-4-6-11(7-5-10)23-16(17)18/h4-8,16H,3H2,1-2H3,(H,19,20)
InChIKeyWZSSVBURTZHANS-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.09
Rot. Bonds6

About ethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate

ethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate (PubChem CID 4813440) has the molecular formula C16H15F2NO4S and a molecular weight of 355.36 g/mol. Its IUPAC name is ethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate
PubChem CID4813440
Molecular FormulaC16H15F2NO4S
Molecular Weight355.36 g/mol
Exact Mass355.07
IUPAC Nameethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(OC(F)F)cc2)cc1C
InChIInChI=1S/C16H15F2NO4S/c1-3-22-15(21)13-9(2)8-12(24-13)19-14(20)10-4-6-11(7-5-10)23-16(17)18/h4-8,16H,3H2,1-2H3,(H,19,20)
InChIKeyWZSSVBURTZHANS-UHFFFAOYSA-N
XLogP4.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-methyl-5-[(4-propan-2-ylbenzoyl)amino]thiophene-2-carboxylate
CID 2353845
ethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 7942302
ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 2677138
ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate
CID 43406104
ethyl 3-methyl-5-[2-(4-methylphenoxy)propanoylamino]thiophene-2-carboxylate
CID 112794458
ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 31420731
ethyl 5-[(6-methoxypyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 134015968
ethyl 5-[(3,5-dinitrobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 55331730
ethyl 5-[(2-bromo-5-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 51146239
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
ethyl 3-methyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiophene-2-carboxylate
CID 51146237
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate (CID 4813440) is ethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(OC(F)F)cc2)cc1C.
What is the InChIKey of ethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate?
The InChIKey is WZSSVBURTZHANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO4S/c1-3-22-15(21)13-9(2)8-12(24-13)19-14(20)10-4-6-11(7-5-10)23-16(17)18/h4-8,16H,3H2,1-2H3,(H,19,20).
What are the key properties of ethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate?
ethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate has a molecular weight of 355.36 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 4813440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).