N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide

C17H21N3O2S — CID 20902440

IUPACN-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
SMILESCNC(=O)CSc1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C17H21N3O2S/c1-18-16(21)12-23-15-10-20(14-7-3-2-6-13(14)15)11-17(22)19-8-4-5-9-19/h2-3,6-7,10H,4-5,8-9,11-12H2,1H3,(H,18,21)
InChIKeyVPKFJKNNXYLNKQ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.10
Rot. Bonds5

About N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide

N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide (PubChem CID 20902440) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
PubChem CID20902440
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
SMILESCNC(=O)CSc1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C17H21N3O2S/c1-18-16(21)12-23-15-10-20(14-7-3-2-6-13(14)15)11-17(22)19-8-4-5-9-19/h2-3,6-7,10H,4-5,8-9,11-12H2,1H3,(H,18,21)
InChIKeyVPKFJKNNXYLNKQ-UHFFFAOYSA-N
XLogP2.10
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide
CID 6624315
N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902452
N-(2-fluorophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902403
N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902462
N-(3-chlorophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902406
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 20902600
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20902590
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetonitrile
CID 18563347
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902416
2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylindol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 20902680
2-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanylindol-1-yl]-1-piperidin-1-ylethanone
CID 40649565
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethanone
CID 27603663

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide?
The IUPAC name of N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide (CID 20902440) is N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide.
What is the SMILES notation for N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide?
The canonical SMILES for N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide is CNC(=O)CSc1cn(CC(=O)N2CCCC2)c2ccccc12.
What is the InChIKey of N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide?
The InChIKey is VPKFJKNNXYLNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-18-16(21)12-23-15-10-20(14-7-3-2-6-13(14)15)11-17(22)19-8-4-5-9-19/h2-3,6-7,10H,4-5,8-9,11-12H2,1H3,(H,18,21).
What are the key properties of N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide?
N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide has a molecular weight of 331.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 20902440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).