2-(1-benzothiophen-2-yl)-5-[2-(4-hydroxyphenyl)butanoylamino]benzamide

C25H22N2O3S — CID 59428491

IUPAC2-(1-benzothiophen-2-yl)-5-[2-(4-hydroxyphenyl)butanoylamino]benzamide
SMILESCCC(C(=O)Nc1ccc(-c2cc3ccccc3s2)c(C(N)=O)c1)c1ccc(O)cc1
InChIInChI=1S/C25H22N2O3S/c1-2-19(15-7-10-18(28)11-8-15)25(30)27-17-9-12-20(21(14-17)24(26)29)23-13-16-5-3-4-6-22(16)31-23/h3-14,19,28H,2H2,1H3,(H2,26,29)(H,27,30)
InChIKeyWZEYBUDMHSNCPU-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.51
Rot. Bonds6

About 2-(1-benzothiophen-2-yl)-5-[2-(4-hydroxyphenyl)butanoylamino]benzamide

2-(1-benzothiophen-2-yl)-5-[2-(4-hydroxyphenyl)butanoylamino]benzamide (PubChem CID 59428491) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-5-[2-(4-hydroxyphenyl)butanoylamino]benzamide.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-5-[2-(4-hydroxyphenyl)butanoylamino]benzamide
PubChem CID59428491
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Name2-(1-benzothiophen-2-yl)-5-[2-(4-hydroxyphenyl)butanoylamino]benzamide
SMILESCCC(C(=O)Nc1ccc(-c2cc3ccccc3s2)c(C(N)=O)c1)c1ccc(O)cc1
InChIInChI=1S/C25H22N2O3S/c1-2-19(15-7-10-18(28)11-8-15)25(30)27-17-9-12-20(21(14-17)24(26)29)23-13-16-5-3-4-6-22(16)31-23/h3-14,19,28H,2H2,1H3,(H2,26,29)(H,27,30)
InChIKeyWZEYBUDMHSNCPU-UHFFFAOYSA-N
XLogP5.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-5-[2-(4-hydroxyphenyl)butanoylamino]benzamide?
The IUPAC name of 2-(1-benzothiophen-2-yl)-5-[2-(4-hydroxyphenyl)butanoylamino]benzamide (CID 59428491) is 2-(1-benzothiophen-2-yl)-5-[2-(4-hydroxyphenyl)butanoylamino]benzamide.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-5-[2-(4-hydroxyphenyl)butanoylamino]benzamide?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-5-[2-(4-hydroxyphenyl)butanoylamino]benzamide is CCC(C(=O)Nc1ccc(-c2cc3ccccc3s2)c(C(N)=O)c1)c1ccc(O)cc1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-5-[2-(4-hydroxyphenyl)butanoylamino]benzamide?
The InChIKey is WZEYBUDMHSNCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S/c1-2-19(15-7-10-18(28)11-8-15)25(30)27-17-9-12-20(21(14-17)24(26)29)23-13-16-5-3-4-6-22(16)31-23/h3-14,19,28H,2H2,1H3,(H2,26,29)(H,27,30).
What are the key properties of 2-(1-benzothiophen-2-yl)-5-[2-(4-hydroxyphenyl)butanoylamino]benzamide?
2-(1-benzothiophen-2-yl)-5-[2-(4-hydroxyphenyl)butanoylamino]benzamide has a molecular weight of 430.53 g/mol, XLogP of 5.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-5-[2-(4-hydroxyphenyl)butanoylamino]benzamide is sourced from PubChem (CID 59428491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).