N-(4-methoxyphenyl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide

C22H18N2O3S — CID 134155278

IUPACN-(4-methoxyphenyl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide
SMILESCOc1ccc(NC(=O)C(=O)c2cn(Cc3ccsc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N2O3S/c1-27-17-8-6-16(7-9-17)23-22(26)21(25)19-13-24(12-15-10-11-28-14-15)20-5-3-2-4-18(19)20/h2-11,13-14H,12H2,1H3,(H,23,26)
InChIKeyZRSAMZOSGDFCLN-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.58
Rot. Bonds6

About N-(4-methoxyphenyl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide

N-(4-methoxyphenyl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide (PubChem CID 134155278) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide
PubChem CID134155278
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC NameN-(4-methoxyphenyl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide
SMILESCOc1ccc(NC(=O)C(=O)c2cn(Cc3ccsc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N2O3S/c1-27-17-8-6-16(7-9-17)23-22(26)21(25)19-13-24(12-15-10-11-28-14-15)20-5-3-2-4-18(19)20/h2-11,13-14H,12H2,1H3,(H,23,26)
InChIKeyZRSAMZOSGDFCLN-UHFFFAOYSA-N
XLogP4.58
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide (CID 134155278) is N-(4-methoxyphenyl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide is COc1ccc(NC(=O)C(=O)c2cn(Cc3ccsc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide?
The InChIKey is ZRSAMZOSGDFCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-27-17-8-6-16(7-9-17)23-22(26)21(25)19-13-24(12-15-10-11-28-14-15)20-5-3-2-4-18(19)20/h2-11,13-14H,12H2,1H3,(H,23,26).
What are the key properties of N-(4-methoxyphenyl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide?
N-(4-methoxyphenyl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide has a molecular weight of 390.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide is sourced from PubChem (CID 134155278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).