N-(3-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide

C24H26N4O4S — CID 27396723

IUPACN-(3-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)c1
InChIInChI=1S/C24H26N4O4S/c1-17(29)25-18-5-4-6-19(13-18)26-23(30)16-33-22-14-28(21-8-3-2-7-20(21)22)15-24(31)27-9-11-32-12-10-27/h2-8,13-14H,9-12,15-16H2,1H3,(H,25,29)(H,26,30)
InChIKeyNWPRUFBMBJRURA-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.19
Rot. Bonds7

About N-(3-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide

N-(3-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide (PubChem CID 27396723) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
PubChem CID27396723
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-(3-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)c1
InChIInChI=1S/C24H26N4O4S/c1-17(29)25-18-5-4-6-19(13-18)26-23(30)16-33-22-14-28(21-8-3-2-7-20(21)22)15-24(31)27-9-11-32-12-10-27/h2-8,13-14H,9-12,15-16H2,1H3,(H,25,29)(H,26,30)
InChIKeyNWPRUFBMBJRURA-UHFFFAOYSA-N
XLogP3.19
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide (CID 27396723) is N-(3-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide is CC(=O)Nc1cccc(NC(=O)CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide?
The InChIKey is NWPRUFBMBJRURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-17(29)25-18-5-4-6-19(13-18)26-23(30)16-33-22-14-28(21-8-3-2-7-20(21)22)15-24(31)27-9-11-32-12-10-27/h2-8,13-14H,9-12,15-16H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-(3-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide?
N-(3-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide has a molecular weight of 466.56 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 27396723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).