N-(4-ethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

C23H20N2O3S — CID 1292707

IUPACN-(4-ethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)cc1
InChIInChI=1S/C23H20N2O3S/c1-2-28-17-11-9-16(10-12-17)24-22(26)15-25-14-19(18-6-3-4-7-20(18)25)23(27)21-8-5-13-29-21/h3-14H,2,15H2,1H3,(H,24,26)
InChIKeyJDEFSUBWDQRXML-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.97
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

N-(4-ethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (PubChem CID 1292707) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
PubChem CID1292707
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-(4-ethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)cc1
InChIInChI=1S/C23H20N2O3S/c1-2-28-17-11-9-16(10-12-17)24-22(26)15-25-14-19(18-6-3-4-7-20(18)25)23(27)21-8-5-13-29-21/h3-14H,2,15H2,1H3,(H,24,26)
InChIKeyJDEFSUBWDQRXML-UHFFFAOYSA-N
XLogP4.97
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (CID 1292707) is N-(4-ethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is CCOc1ccc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The InChIKey is JDEFSUBWDQRXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-2-28-17-11-9-16(10-12-17)24-22(26)15-25-14-19(18-6-3-4-7-20(18)25)23(27)21-8-5-13-29-21/h3-14H,2,15H2,1H3,(H,24,26).
What are the key properties of N-(4-ethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide has a molecular weight of 404.49 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 1292707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).