methyl 2-[[4-(4-propylphenyl)benzoyl]amino]-2-thiophen-2-ylacetate

C23H23NO3S — CID 59162827

IUPACmethyl 2-[[4-(4-propylphenyl)benzoyl]amino]-2-thiophen-2-ylacetate
SMILESCCCc1ccc(-c2ccc(C(=O)NC(C(=O)OC)c3cccs3)cc2)cc1
InChIInChI=1S/C23H23NO3S/c1-3-5-16-7-9-17(10-8-16)18-11-13-19(14-12-18)22(25)24-21(23(26)27-2)20-6-4-15-28-20/h4,6-15,21H,3,5H2,1-2H3,(H,24,25)
InChIKeyBQGALRGLMUGQKF-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.01
Rot. Bonds7

About methyl 2-[[4-(4-propylphenyl)benzoyl]amino]-2-thiophen-2-ylacetate

methyl 2-[[4-(4-propylphenyl)benzoyl]amino]-2-thiophen-2-ylacetate (PubChem CID 59162827) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is methyl 2-[[4-(4-propylphenyl)benzoyl]amino]-2-thiophen-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-[[4-(4-propylphenyl)benzoyl]amino]-2-thiophen-2-ylacetate
PubChem CID59162827
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Namemethyl 2-[[4-(4-propylphenyl)benzoyl]amino]-2-thiophen-2-ylacetate
SMILESCCCc1ccc(-c2ccc(C(=O)NC(C(=O)OC)c3cccs3)cc2)cc1
InChIInChI=1S/C23H23NO3S/c1-3-5-16-7-9-17(10-8-16)18-11-13-19(14-12-18)22(25)24-21(23(26)27-2)20-6-4-15-28-20/h4,6-15,21H,3,5H2,1-2H3,(H,24,25)
InChIKeyBQGALRGLMUGQKF-UHFFFAOYSA-N
XLogP5.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(4-propylphenyl)benzoyl]amino]-2-thiophen-2-ylacetate?
The IUPAC name of methyl 2-[[4-(4-propylphenyl)benzoyl]amino]-2-thiophen-2-ylacetate (CID 59162827) is methyl 2-[[4-(4-propylphenyl)benzoyl]amino]-2-thiophen-2-ylacetate.
What is the SMILES notation for methyl 2-[[4-(4-propylphenyl)benzoyl]amino]-2-thiophen-2-ylacetate?
The canonical SMILES for methyl 2-[[4-(4-propylphenyl)benzoyl]amino]-2-thiophen-2-ylacetate is CCCc1ccc(-c2ccc(C(=O)NC(C(=O)OC)c3cccs3)cc2)cc1.
What is the InChIKey of methyl 2-[[4-(4-propylphenyl)benzoyl]amino]-2-thiophen-2-ylacetate?
The InChIKey is BQGALRGLMUGQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-3-5-16-7-9-17(10-8-16)18-11-13-19(14-12-18)22(25)24-21(23(26)27-2)20-6-4-15-28-20/h4,6-15,21H,3,5H2,1-2H3,(H,24,25).
What are the key properties of methyl 2-[[4-(4-propylphenyl)benzoyl]amino]-2-thiophen-2-ylacetate?
methyl 2-[[4-(4-propylphenyl)benzoyl]amino]-2-thiophen-2-ylacetate has a molecular weight of 393.51 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(4-propylphenyl)benzoyl]amino]-2-thiophen-2-ylacetate is sourced from PubChem (CID 59162827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).