2-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfinyl-2-methyl-1-morpholin-4-ylpropan-1-one

C26H31N3O3S — CID 168941068

IUPAC2-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfinyl-2-methyl-1-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCOCC1)S(=O)c1ccc(N2CCCC2)c(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C26H31N3O3S/c1-26(2,25(30)29-13-15-32-16-14-29)33(31)20-9-10-24(28-11-5-6-12-28)21(18-20)23-17-19-7-3-4-8-22(19)27-23/h3-4,7-10,17-18,27H,5-6,11-16H2,1-2H3
InChIKeyGOEYJQDMIYUVCJ-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.18
Rot. Bonds5

About 2-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfinyl-2-methyl-1-morpholin-4-ylpropan-1-one

2-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfinyl-2-methyl-1-morpholin-4-ylpropan-1-one (PubChem CID 168941068) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is 2-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfinyl-2-methyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfinyl-2-methyl-1-morpholin-4-ylpropan-1-one
PubChem CID168941068
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC Name2-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfinyl-2-methyl-1-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCOCC1)S(=O)c1ccc(N2CCCC2)c(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C26H31N3O3S/c1-26(2,25(30)29-13-15-32-16-14-29)33(31)20-9-10-24(28-11-5-6-12-28)21(18-20)23-17-19-7-3-4-8-22(19)27-23/h3-4,7-10,17-18,27H,5-6,11-16H2,1-2H3
InChIKeyGOEYJQDMIYUVCJ-UHFFFAOYSA-N
XLogP4.18
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfinyl-2-methyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfinyl-2-methyl-1-morpholin-4-ylpropan-1-one (CID 168941068) is 2-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfinyl-2-methyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfinyl-2-methyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfinyl-2-methyl-1-morpholin-4-ylpropan-1-one is CC(C)(C(=O)N1CCOCC1)S(=O)c1ccc(N2CCCC2)c(-c2cc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfinyl-2-methyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is GOEYJQDMIYUVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-26(2,25(30)29-13-15-32-16-14-29)33(31)20-9-10-24(28-11-5-6-12-28)21(18-20)23-17-19-7-3-4-8-22(19)27-23/h3-4,7-10,17-18,27H,5-6,11-16H2,1-2H3.
What are the key properties of 2-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfinyl-2-methyl-1-morpholin-4-ylpropan-1-one?
2-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfinyl-2-methyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 465.62 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfinyl-2-methyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 168941068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).