ethyl 4-[5-[5-[(4-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate

C30H24N2O5S — CID 155943004

IUPACethyl 4-[5-[5-[(4-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(-c3nc(-c4ccccc4)c(NC(=O)c4ccc(OC)cc4)s3)o2)cc1
InChIInChI=1S/C30H24N2O5S/c1-3-36-30(34)22-11-9-19(10-12-22)24-17-18-25(37-24)28-31-26(20-7-5-4-6-8-20)29(38-28)32-27(33)21-13-15-23(35-2)16-14-21/h4-18H,3H2,1-2H3,(H,32,33)
InChIKeyPDZYHNLABAHKAA-UHFFFAOYSA-N
MW524.60 g/mol
LogP7.17
Rot. Bonds8

About ethyl 4-[5-[5-[(4-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate

ethyl 4-[5-[5-[(4-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate (PubChem CID 155943004) has the molecular formula C30H24N2O5S and a molecular weight of 524.60 g/mol. Its IUPAC name is ethyl 4-[5-[5-[(4-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[5-[5-[(4-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate
PubChem CID155943004
Molecular FormulaC30H24N2O5S
Molecular Weight524.60 g/mol
Exact Mass524.14
IUPAC Nameethyl 4-[5-[5-[(4-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(-c3nc(-c4ccccc4)c(NC(=O)c4ccc(OC)cc4)s3)o2)cc1
InChIInChI=1S/C30H24N2O5S/c1-3-36-30(34)22-11-9-19(10-12-22)24-17-18-25(37-24)28-31-26(20-7-5-4-6-8-20)29(38-28)32-27(33)21-13-15-23(35-2)16-14-21/h4-18H,3H2,1-2H3,(H,32,33)
InChIKeyPDZYHNLABAHKAA-UHFFFAOYSA-N
XLogP7.17
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.60
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[5-[(4-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate?
The IUPAC name of ethyl 4-[5-[5-[(4-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate (CID 155943004) is ethyl 4-[5-[5-[(4-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate.
What is the SMILES notation for ethyl 4-[5-[5-[(4-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate?
The canonical SMILES for ethyl 4-[5-[5-[(4-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate is CCOC(=O)c1ccc(-c2ccc(-c3nc(-c4ccccc4)c(NC(=O)c4ccc(OC)cc4)s3)o2)cc1.
What is the InChIKey of ethyl 4-[5-[5-[(4-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate?
The InChIKey is PDZYHNLABAHKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O5S/c1-3-36-30(34)22-11-9-19(10-12-22)24-17-18-25(37-24)28-31-26(20-7-5-4-6-8-20)29(38-28)32-27(33)21-13-15-23(35-2)16-14-21/h4-18H,3H2,1-2H3,(H,32,33).
What are the key properties of ethyl 4-[5-[5-[(4-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate?
ethyl 4-[5-[5-[(4-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate has a molecular weight of 524.60 g/mol, XLogP of 7.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[5-[(4-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate is sourced from PubChem (CID 155943004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).