2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide

C23H27N3O2S — CID 20902366

IUPAC2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(SCC(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C23H27N3O2S/c1-3-25(4-2)23(28)16-26-15-21(19-12-8-9-13-20(19)26)29-17-22(27)24-14-18-10-6-5-7-11-18/h5-13,15H,3-4,14,16-17H2,1-2H3,(H,24,27)
InChIKeyCXSRLINLBWRTKV-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.92
Rot. Bonds9

About 2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide

2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide (PubChem CID 20902366) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
PubChem CID20902366
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(SCC(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C23H27N3O2S/c1-3-25(4-2)23(28)16-26-15-21(19-12-8-9-13-20(19)26)29-17-22(27)24-14-18-10-6-5-7-11-18/h5-13,15H,3-4,14,16-17H2,1-2H3,(H,24,27)
InChIKeyCXSRLINLBWRTKV-UHFFFAOYSA-N
XLogP3.92
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide
CID 5163816
ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate
CID 20902365
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902343
N,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide
CID 20902356
2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902363
2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902364
2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 4649358
N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide
CID 27637919
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526
N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide
CID 66408422
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3325904
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-ethylindol-3-yl)sulfanylacetamide
CID 5070966

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide (CID 20902366) is 2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1cc(SCC(=O)NCc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide?
The InChIKey is CXSRLINLBWRTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-3-25(4-2)23(28)16-26-15-21(19-12-8-9-13-20(19)26)29-17-22(27)24-14-18-10-6-5-7-11-18/h5-13,15H,3-4,14,16-17H2,1-2H3,(H,24,27).
What are the key properties of 2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide?
2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide has a molecular weight of 409.56 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 20902366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).