N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide

C24H26ClN3O3S — CID 40940084

About N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide

N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide (PubChem CID 40940084) has the molecular formula C24H26ClN3O3S and a molecular weight of 472.01 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide
• PubChem CID: 40940084
• Molecular Formula: C24H26ClN3O3S
• Molecular Weight: 472.01 g/mol
• Exact Mass: 471.14
• IUPAC Name: N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide
• SMILES: C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(Cl)cc3)c3ccccc32)C[C@@H](C)O1
• InChI: InChI=1S/C24H26ClN3O3S/c1-16-11-28(12-17(2)31-16)24(30)14-27-13-22(20-5-3-4-6-21(20)27)32-15-23(29)26-19-9-7-18(25)8-10-19/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H,26,29)/t16-,17-/m1/s1
• InChIKey: SOFXGFWWAHSFRV-IAGOWNOFSA-N
• XLogP: 4.66
• TPSA: 63.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.01
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide?

The IUPAC name of N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide (CID 40940084) is N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide.

What is the SMILES notation for N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide?

The canonical SMILES for N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide is C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(Cl)cc3)c3ccccc32)C[C@@H](C)O1.

What is the InChIKey of N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide?

The InChIKey is SOFXGFWWAHSFRV-IAGOWNOFSA-N. The full InChI is InChI=1S/C24H26ClN3O3S/c1-16-11-28(12-17(2)31-16)24(30)14-27-13-22(20-5-3-4-6-21(20)27)32-15-23(29)26-19-9-7-18(25)8-10-19/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H,26,29)/t16-,17-/m1/s1.

What are the key properties of N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide?

N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide has a molecular weight of 472.01 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 40940084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).