2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide

C21H27N3O4S — CID 20902541

IUPAC2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSc1cn(CC(=O)N2CCOCC2)c2ccccc12)NCC1CCCO1
InChIInChI=1S/C21H27N3O4S/c25-20(22-12-16-4-3-9-28-16)15-29-19-13-24(18-6-2-1-5-17(18)19)14-21(26)23-7-10-27-11-8-23/h1-2,5-6,13,16H,3-4,7-12,14-15H2,(H,22,25)
InChIKeyOMIVNJRTADYCPM-UHFFFAOYSA-N
MW417.53 g/mol
LogP1.89
Rot. Bonds7

About 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide

2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 20902541) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID20902541
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSc1cn(CC(=O)N2CCOCC2)c2ccccc12)NCC1CCCO1
InChIInChI=1S/C21H27N3O4S/c25-20(22-12-16-4-3-9-28-16)15-29-19-13-24(18-6-2-1-5-17(18)19)14-21(26)23-7-10-27-11-8-23/h1-2,5-6,13,16H,3-4,7-12,14-15H2,(H,22,25)
InChIKeyOMIVNJRTADYCPM-UHFFFAOYSA-N
XLogP1.89
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902534
2-oxo-N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 16808099
N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902511
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40940130
N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563513
N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]acetamide
CID 97465954
2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 41050435
N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902519
4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 41050466
N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902440
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184
N-[2-[3-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 41050370

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide (CID 20902541) is 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide is O=C(CSc1cn(CC(=O)N2CCOCC2)c2ccccc12)NCC1CCCO1.
What is the InChIKey of 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is OMIVNJRTADYCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c25-20(22-12-16-4-3-9-28-16)15-29-19-13-24(18-6-2-1-5-17(18)19)14-21(26)23-7-10-27-11-8-23/h1-2,5-6,13,16H,3-4,7-12,14-15H2,(H,22,25).
What are the key properties of 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 417.53 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 20902541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).