2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide

C22H23N3O2S — CID 6624315

IUPAC2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CSc1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccccc1
InChIInChI=1S/C22H23N3O2S/c26-21(23-17-8-2-1-3-9-17)16-28-20-14-25(19-11-5-4-10-18(19)20)15-22(27)24-12-6-7-13-24/h1-5,8-11,14H,6-7,12-13,15-16H2,(H,23,26)
InChIKeyMKPKGBFUDDUPQM-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.99
Rot. Bonds6

About 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide

2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide (PubChem CID 6624315) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide
PubChem CID6624315
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CSc1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccccc1
InChIInChI=1S/C22H23N3O2S/c26-21(23-17-8-2-1-3-9-17)16-28-20-14-25(19-11-5-4-10-18(19)20)15-22(27)24-12-6-7-13-24/h1-5,8-11,14H,6-7,12-13,15-16H2,(H,23,26)
InChIKeyMKPKGBFUDDUPQM-UHFFFAOYSA-N
XLogP3.99
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902440
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20902590
N-(2-fluorophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902403
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902416
N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902452
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 20902600
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3325904
2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3439437
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetonitrile
CID 18563347
1-(azepan-1-yl)-2-[3-(naphthalen-1-ylmethylsulfanyl)indol-1-yl]ethanone
CID 18563345

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide (CID 6624315) is 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide is O=C(CSc1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccccc1.
What is the InChIKey of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide?
The InChIKey is MKPKGBFUDDUPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c26-21(23-17-8-2-1-3-9-17)16-28-20-14-25(19-11-5-4-10-18(19)20)15-22(27)24-12-6-7-13-24/h1-5,8-11,14H,6-7,12-13,15-16H2,(H,23,26).
What are the key properties of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide?
2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide has a molecular weight of 393.51 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 6624315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).