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

C21H27N3O3S — CID 20902534

IUPACN-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
SMILESO=C(CSc1cn(CC(=O)N2CCOCC2)c2ccccc12)NC1CCCC1
InChIInChI=1S/C21H27N3O3S/c25-20(22-16-5-1-2-6-16)15-28-19-13-24(18-8-4-3-7-17(18)19)14-21(26)23-9-11-27-12-10-23/h3-4,7-8,13,16H,1-2,5-6,9-12,14-15H2,(H,22,25)
InChIKeyRVAQTDUYJTYFMU-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.65
Rot. Bonds6

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

N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide (PubChem CID 20902534) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
PubChem CID20902534
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
SMILESO=C(CSc1cn(CC(=O)N2CCOCC2)c2ccccc12)NC1CCCC1
InChIInChI=1S/C21H27N3O3S/c25-20(22-16-5-1-2-6-16)15-28-19-13-24(18-8-4-3-7-17(18)19)14-21(26)23-9-11-27-12-10-23/h3-4,7-8,13,16H,1-2,5-6,9-12,14-15H2,(H,22,25)
InChIKeyRVAQTDUYJTYFMU-UHFFFAOYSA-N
XLogP2.65
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 20902541
N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902519
N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902511
N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902440
2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902364
2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide
CID 6624315
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902416
2-[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione
CID 30291360
N-(2-fluorophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902403
N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3224772
N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902452
N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902462

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide (CID 20902534) is N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide is O=C(CSc1cn(CC(=O)N2CCOCC2)c2ccccc12)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide?
The InChIKey is RVAQTDUYJTYFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c25-20(22-16-5-1-2-6-16)15-28-19-13-24(18-8-4-3-7-17(18)19)14-21(26)23-9-11-27-12-10-23/h3-4,7-8,13,16H,1-2,5-6,9-12,14-15H2,(H,22,25).
What are the key properties of N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide?
N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide has a molecular weight of 401.53 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 20902534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).