ethyl 4-carbamoyl-5-[(2-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate

C16H15FN2O4S — CID 1011075

IUPACethyl 4-carbamoyl-5-[(2-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccccc2F)c(C(N)=O)c1C
InChIInChI=1S/C16H15FN2O4S/c1-3-23-16(22)12-8(2)11(13(18)20)15(24-12)19-14(21)9-6-4-5-7-10(9)17/h4-7H,3H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyJNQZNQHYIWDNJQ-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.72
Rot. Bonds5

About ethyl 4-carbamoyl-5-[(2-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate

ethyl 4-carbamoyl-5-[(2-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate (PubChem CID 1011075) has the molecular formula C16H15FN2O4S and a molecular weight of 350.37 g/mol. Its IUPAC name is ethyl 4-carbamoyl-5-[(2-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-5-[(2-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate
PubChem CID1011075
Molecular FormulaC16H15FN2O4S
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Nameethyl 4-carbamoyl-5-[(2-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccccc2F)c(C(N)=O)c1C
InChIInChI=1S/C16H15FN2O4S/c1-3-23-16(22)12-8(2)11(13(18)20)15(24-12)19-14(21)9-6-4-5-7-10(9)17/h4-7H,3H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyJNQZNQHYIWDNJQ-UHFFFAOYSA-N
XLogP2.72
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 698230
Ethyl 4,5,6,7-tetrahydro-2-((2-phenylacetyl)amino)benzo(b)thiophene-3-carboxylate
CID 40409
Ethyl 2-[(2-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 722860
2-Benzamido-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid
CID 817029
Ethyl 5-carbamoyl-4-methyl-2-(perfluorobenzamido)thiophene-3-carboxylate
CID 2164122
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-((1-oxo-3-phenyl-2-propenyl)amino)-,ethyl ester
CID 1098719
Methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 841141
methyl 2-(acetylamino)-4-methyl-5-(N-phenylcarbamoyl)thiophene-3-carboxylate
CID 846267
Methyl 2-amino-4-methyl-5-[(2-phenylethyl)carbamoyl]thiophene-3-carboxylate
CID 2231873
Methyl 2-(3-phenylpropanamido)thiophene-3-carboxylate
CID 3332875
5-[(3-Ethoxycarbonyl-4-thiophen-2-yl-2-thiophenyl)amino]-5-oxopentanoic acid
CID 661072
diethyl 2-[(phenylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate
CID 1047282

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-5-[(2-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-5-[(2-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate (CID 1011075) is ethyl 4-carbamoyl-5-[(2-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-5-[(2-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-5-[(2-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccccc2F)c(C(N)=O)c1C.
What is the InChIKey of ethyl 4-carbamoyl-5-[(2-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate?
The InChIKey is JNQZNQHYIWDNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4S/c1-3-23-16(22)12-8(2)11(13(18)20)15(24-12)19-14(21)9-6-4-5-7-10(9)17/h4-7H,3H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of ethyl 4-carbamoyl-5-[(2-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate?
ethyl 4-carbamoyl-5-[(2-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-5-[(2-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 1011075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).