methyl 3-ethoxy-5-[[2-(4-fluorophenyl)acetyl]amino]-1-benzothiophene-2-carboxylate

C20H18FNO4S — CID 46380774

IUPACmethyl 3-ethoxy-5-[[2-(4-fluorophenyl)acetyl]amino]-1-benzothiophene-2-carboxylate
SMILESCCOc1c(C(=O)OC)sc2ccc(NC(=O)Cc3ccc(F)cc3)cc12
InChIInChI=1S/C20H18FNO4S/c1-3-26-18-15-11-14(8-9-16(15)27-19(18)20(24)25-2)22-17(23)10-12-4-6-13(21)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,22,23)
InChIKeyUFPLAFOETMQNDU-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.41
Rot. Bonds6

About methyl 3-ethoxy-5-[[2-(4-fluorophenyl)acetyl]amino]-1-benzothiophene-2-carboxylate

methyl 3-ethoxy-5-[[2-(4-fluorophenyl)acetyl]amino]-1-benzothiophene-2-carboxylate (PubChem CID 46380774) has the molecular formula C20H18FNO4S and a molecular weight of 387.43 g/mol. Its IUPAC name is methyl 3-ethoxy-5-[[2-(4-fluorophenyl)acetyl]amino]-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethoxy-5-[[2-(4-fluorophenyl)acetyl]amino]-1-benzothiophene-2-carboxylate
PubChem CID46380774
Molecular FormulaC20H18FNO4S
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC Namemethyl 3-ethoxy-5-[[2-(4-fluorophenyl)acetyl]amino]-1-benzothiophene-2-carboxylate
SMILESCCOc1c(C(=O)OC)sc2ccc(NC(=O)Cc3ccc(F)cc3)cc12
InChIInChI=1S/C20H18FNO4S/c1-3-26-18-15-11-14(8-9-16(15)27-19(18)20(24)25-2)22-17(23)10-12-4-6-13(21)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,22,23)
InChIKeyUFPLAFOETMQNDU-UHFFFAOYSA-N
XLogP4.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(2,4-difluorophenyl)carbamoylamino]-3-ethoxy-1-benzothiophene-2-carboxylate
CID 53106828
methyl 3-ethoxy-5-[(4-ethoxybenzoyl)amino]-1-benzothiophene-2-carboxylate
CID 46380784
methyl 5-[(4-fluorophenyl)carbamoylamino]-3-methoxy-1-benzothiophene-2-carboxylate
CID 53106895
methyl 5-[(4-ethylphenyl)carbamoylamino]-3-methoxy-1-benzothiophene-2-carboxylate
CID 53106873
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
methyl 3-ethoxy-5-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-1-benzothiophene-2-carboxylate
CID 95085400
methyl 5-[[2-(4-methoxyphenoxy)acetyl]amino]-3-(2-methylpropoxy)-1-benzothiophene-2-carboxylate
CID 46380869
N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide
CID 110745630
2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799750
methyl 4-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999943
2-(4-ethoxyphenyl)-N-(3-fluorophenyl)acetamide
CID 26579486
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 46352529

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethoxy-5-[[2-(4-fluorophenyl)acetyl]amino]-1-benzothiophene-2-carboxylate?
The IUPAC name of methyl 3-ethoxy-5-[[2-(4-fluorophenyl)acetyl]amino]-1-benzothiophene-2-carboxylate (CID 46380774) is methyl 3-ethoxy-5-[[2-(4-fluorophenyl)acetyl]amino]-1-benzothiophene-2-carboxylate.
What is the SMILES notation for methyl 3-ethoxy-5-[[2-(4-fluorophenyl)acetyl]amino]-1-benzothiophene-2-carboxylate?
The canonical SMILES for methyl 3-ethoxy-5-[[2-(4-fluorophenyl)acetyl]amino]-1-benzothiophene-2-carboxylate is CCOc1c(C(=O)OC)sc2ccc(NC(=O)Cc3ccc(F)cc3)cc12.
What is the InChIKey of methyl 3-ethoxy-5-[[2-(4-fluorophenyl)acetyl]amino]-1-benzothiophene-2-carboxylate?
The InChIKey is UFPLAFOETMQNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4S/c1-3-26-18-15-11-14(8-9-16(15)27-19(18)20(24)25-2)22-17(23)10-12-4-6-13(21)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,22,23).
What are the key properties of methyl 3-ethoxy-5-[[2-(4-fluorophenyl)acetyl]amino]-1-benzothiophene-2-carboxylate?
methyl 3-ethoxy-5-[[2-(4-fluorophenyl)acetyl]amino]-1-benzothiophene-2-carboxylate has a molecular weight of 387.43 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethoxy-5-[[2-(4-fluorophenyl)acetyl]amino]-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 46380774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).