methyl 5-[(4-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate

C23H21FN2O5S — CID 1130899

IUPACmethyl 5-[(4-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc(C(=O)Nc2ccc(F)cc2)c1C
InChIInChI=1S/C23H21FN2O5S/c1-13-19(23(29)31-3)22(26-18(27)12-14-4-10-17(30-2)11-5-14)32-20(13)21(28)25-16-8-6-15(24)7-9-16/h4-11H,12H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyBKWFJCRXIYOLEL-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.42
Rot. Bonds7

About methyl 5-[(4-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate

methyl 5-[(4-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate (PubChem CID 1130899) has the molecular formula C23H21FN2O5S and a molecular weight of 456.50 g/mol. Its IUPAC name is methyl 5-[(4-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate
PubChem CID1130899
Molecular FormulaC23H21FN2O5S
Molecular Weight456.50 g/mol
Exact Mass456.12
IUPAC Namemethyl 5-[(4-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc(C(=O)Nc2ccc(F)cc2)c1C
InChIInChI=1S/C23H21FN2O5S/c1-13-19(23(29)31-3)22(26-18(27)12-14-4-10-17(30-2)11-5-14)32-20(13)21(28)25-16-8-6-15(24)7-9-16/h4-11H,12H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyBKWFJCRXIYOLEL-UHFFFAOYSA-N
XLogP4.42
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(4-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate with MolForge

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Related Compounds

methyl 5-[(4-methoxyphenyl)carbamoyl]-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
CID 19579270
methyl 2-[(2-chloroacetyl)amino]-5-[(4-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1130970
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-5-[(3-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1131174
methyl 5-[(4-chlorophenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1071103
ethyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 17469407
ethyl 5-[(2-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate
CID 1087388
methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-5-[(4-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1131038
methyl 5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
CID 1071074
dimethyl 5-[[2-(4-fluorophenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 7817867
ethyl 4-(ethoxycarbonylcarbamoyl)-5-[[2-(4-fluorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 41099914
ethyl 2-benzamido-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2167737
ethyl 2-(furan-2-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 3117483

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 5-[(4-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate (CID 1130899) is methyl 5-[(4-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 5-[(4-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc(C(=O)Nc2ccc(F)cc2)c1C.
What is the InChIKey of methyl 5-[(4-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate?
The InChIKey is BKWFJCRXIYOLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O5S/c1-13-19(23(29)31-3)22(26-18(27)12-14-4-10-17(30-2)11-5-14)32-20(13)21(28)25-16-8-6-15(24)7-9-16/h4-11H,12H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of methyl 5-[(4-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate?
methyl 5-[(4-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate has a molecular weight of 456.50 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 1130899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).