methyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate

C23H19NO5S — CID 40888787

IUPACmethyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate
SMILESCCOc1cccc2cc(C(=O)Nc3cc(-c4ccccc4)sc3C(=O)OC)oc12
InChIInChI=1S/C23H19NO5S/c1-3-28-17-11-7-10-15-12-18(29-20(15)17)22(25)24-16-13-19(14-8-5-4-6-9-14)30-21(16)23(26)27-2/h4-13H,3H2,1-2H3,(H,24,25)
InChIKeyRMQQRLLYHDKYKH-UHFFFAOYSA-N
MW421.47 g/mol
LogP5.60
Rot. Bonds6

About methyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate

methyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate (PubChem CID 40888787) has the molecular formula C23H19NO5S and a molecular weight of 421.47 g/mol. Its IUPAC name is methyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate
PubChem CID40888787
Molecular FormulaC23H19NO5S
Molecular Weight421.47 g/mol
Exact Mass421.10
IUPAC Namemethyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate
SMILESCCOc1cccc2cc(C(=O)Nc3cc(-c4ccccc4)sc3C(=O)OC)oc12
InChIInChI=1S/C23H19NO5S/c1-3-28-17-11-7-10-15-12-18(29-20(15)17)22(25)24-16-13-19(14-8-5-4-6-9-14)30-21(16)23(26)27-2/h4-13H,3H2,1-2H3,(H,24,25)
InChIKeyRMQQRLLYHDKYKH-UHFFFAOYSA-N
XLogP5.60
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.47
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-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

7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 40888860
N-(2,3-dimethylphenyl)-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888863
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888822
methyl 3-[[2-(4-methoxyphenyl)acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 8718962
7-ethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888778
7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 40946707
methyl 6-benzyl-2-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44916560
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 43976295
N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888792
N-[3-(1H-benzimidazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888796
methyl 3-[(5-bromothiophene-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate
CID 5018015
methyl 3-[(4-methylsulfanylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 7565351

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate (CID 40888787) is methyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate is CCOc1cccc2cc(C(=O)Nc3cc(-c4ccccc4)sc3C(=O)OC)oc12.
What is the InChIKey of methyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate?
The InChIKey is RMQQRLLYHDKYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5S/c1-3-28-17-11-7-10-15-12-18(29-20(15)17)22(25)24-16-13-19(14-8-5-4-6-9-14)30-21(16)23(26)27-2/h4-13H,3H2,1-2H3,(H,24,25).
What are the key properties of methyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate?
methyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate has a molecular weight of 421.47 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate is sourced from PubChem (CID 40888787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).