N-(2,5-dimethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

C23H20N2O4S — CID 1241963

IUPACN-(2,5-dimethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)c1
InChIInChI=1S/C23H20N2O4S/c1-28-15-9-10-20(29-2)18(12-15)24-22(26)14-25-13-17(16-6-3-4-7-19(16)25)23(27)21-8-5-11-30-21/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyIWLCLFPYFSVKOJ-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.59
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (PubChem CID 1241963) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
PubChem CID1241963
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)c1
InChIInChI=1S/C23H20N2O4S/c1-28-15-9-10-20(29-2)18(12-15)24-22(26)14-25-13-17(16-6-3-4-7-19(16)25)23(27)21-8-5-11-30-21/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyIWLCLFPYFSVKOJ-UHFFFAOYSA-N
XLogP4.59
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (CID 1241963) is N-(2,5-dimethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The InChIKey is IWLCLFPYFSVKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-28-15-9-10-20(29-2)18(12-15)24-22(26)14-25-13-17(16-6-3-4-7-19(16)25)23(27)21-8-5-11-30-21/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide has a molecular weight of 420.49 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 1241963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).