ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate

C25H24N2O5S — CID 23095935

IUPACethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C25H24N2O5S/c1-3-32-25(30)18-4-8-19(9-5-18)26-23(28)16-33-22-14-10-20(11-15-22)27-24(29)17-6-12-21(31-2)13-7-17/h4-15H,3,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyHUJAXSUYEQXGGE-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.86
Rot. Bonds9

About ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate

ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate (PubChem CID 23095935) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
PubChem CID23095935
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Nameethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C25H24N2O5S/c1-3-32-25(30)18-4-8-19(9-5-18)26-23(28)16-33-22-14-10-20(11-15-22)27-24(29)17-6-12-21(31-2)13-7-17/h4-15H,3,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyHUJAXSUYEQXGGE-UHFFFAOYSA-N
XLogP4.86
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate with MolForge

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Related Compounds

butyl 4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoate
CID 99955524
ethyl 4-[[2-[4-[(3-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 22782235
ethyl 4-[(2-phenylsulfanylacetyl)amino]benzoate
CID 2302545
ethyl 4-[[2-[4-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 22782234
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
2-[[4-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785292
3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22777789
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
ethyl 4-[[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoate
CID 19630791
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 22781220
N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide
CID 8884327
4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide
CID 19629302

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate (CID 23095935) is ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate?
The InChIKey is HUJAXSUYEQXGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-3-32-25(30)18-4-8-19(9-5-18)26-23(28)16-33-22-14-10-20(11-15-22)27-24(29)17-6-12-21(31-2)13-7-17/h4-15H,3,16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate?
ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate has a molecular weight of 464.54 g/mol, XLogP of 4.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate is sourced from PubChem (CID 23095935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).