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

C22H18N2O3S — CID 1088994

IUPACN-(4-methoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)cc1
InChIInChI=1S/C22H18N2O3S/c1-27-16-10-8-15(9-11-16)23-21(25)14-24-13-18(17-5-2-3-6-19(17)24)22(26)20-7-4-12-28-20/h2-13H,14H2,1H3,(H,23,25)
InChIKeyPGRKUTHGAIQXDD-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.58
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (PubChem CID 1088994) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
PubChem CID1088994
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC NameN-(4-methoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)cc1
InChIInChI=1S/C22H18N2O3S/c1-27-16-10-8-15(9-11-16)23-21(25)14-24-13-18(17-5-2-3-6-19(17)24)22(26)20-7-4-12-28-20/h2-13H,14H2,1H3,(H,23,25)
InChIKeyPGRKUTHGAIQXDD-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (CID 1088994) is N-(4-methoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is COc1ccc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The InChIKey is PGRKUTHGAIQXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-27-16-10-8-15(9-11-16)23-21(25)14-24-13-18(17-5-2-3-6-19(17)24)22(26)20-7-4-12-28-20/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-(4-methoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
N-(4-methoxyphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-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-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 1088994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).