ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate

C20H27N3O4S — CID 20902365

IUPACethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1cn(CC(=O)N(CC)CC)c2ccccc12
InChIInChI=1S/C20H27N3O4S/c1-4-22(5-2)19(25)13-23-12-17(15-9-7-8-10-16(15)23)28-14-18(24)21-11-20(26)27-6-3/h7-10,12H,4-6,11,13-14H2,1-3H3,(H,21,24)
InChIKeyMRKPJJBMUIRHMH-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.28
Rot. Bonds10

About ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate

ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate (PubChem CID 20902365) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate
PubChem CID20902365
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Nameethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1cn(CC(=O)N(CC)CC)c2ccccc12
InChIInChI=1S/C20H27N3O4S/c1-4-22(5-2)19(25)13-23-12-17(15-9-7-8-10-16(15)23)28-14-18(24)21-11-20(26)27-6-3/h7-10,12H,4-6,11,13-14H2,1-3H3,(H,21,24)
InChIKeyMRKPJJBMUIRHMH-UHFFFAOYSA-N
XLogP2.28
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902366
N,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide
CID 20902356
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902343
N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide
CID 27637919
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
ethyl 2-(1-ethylindol-3-yl)sulfanylacetate
CID 43949356
ethyl 2-(3-benzylsulfanylindol-1-yl)acetate
CID 43949304
N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide
CID 5163816
N,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide
CID 20902660
ethyl 4-[[2-(1-ethylindol-3-yl)sulfanylacetyl]amino]benzoate
CID 3420060
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate (CID 20902365) is ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate is CCOC(=O)CNC(=O)CSc1cn(CC(=O)N(CC)CC)c2ccccc12.
What is the InChIKey of ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate?
The InChIKey is MRKPJJBMUIRHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-4-22(5-2)19(25)13-23-12-17(15-9-7-8-10-16(15)23)28-14-18(24)21-11-20(26)27-6-3/h7-10,12H,4-6,11,13-14H2,1-3H3,(H,21,24).
What are the key properties of ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate?
ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate has a molecular weight of 405.52 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate is sourced from PubChem (CID 20902365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).