N,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide

C22H31N3O2S — CID 20902660

IUPACN,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1cn(CC(=O)N2CCC(C)CC2)c2ccccc12
InChIInChI=1S/C22H31N3O2S/c1-4-23(5-2)22(27)16-28-20-14-25(19-9-7-6-8-18(19)20)15-21(26)24-12-10-17(3)11-13-24/h6-9,14,17H,4-5,10-13,15-16H2,1-3H3
InChIKeyHBMMEUKWHJGMEF-UHFFFAOYSA-N
MW401.58 g/mol
LogP3.86
Rot. Bonds7

About N,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide

N,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide (PubChem CID 20902660) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is N,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide
PubChem CID20902660
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC NameN,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1cn(CC(=O)N2CCC(C)CC2)c2ccccc12
InChIInChI=1S/C22H31N3O2S/c1-4-23(5-2)22(27)16-28-20-14-25(19-9-7-6-8-18(19)20)15-21(26)24-12-10-17(3)11-13-24/h6-9,14,17H,4-5,10-13,15-16H2,1-3H3
InChIKeyHBMMEUKWHJGMEF-UHFFFAOYSA-N
XLogP3.86
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902364
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde
CID 820162
2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 27603651
N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902440
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide
CID 20902656
2-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanylindol-1-yl]-1-piperidin-1-ylethanone
CID 40649565
2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylindol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 20902680
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethanone
CID 27603663
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 23794200
2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902366
2-[3-(benzenesulfonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935305
ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate
CID 20902365

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide (CID 20902660) is N,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide is CCN(CC)C(=O)CSc1cn(CC(=O)N2CCC(C)CC2)c2ccccc12.
What is the InChIKey of N,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide?
The InChIKey is HBMMEUKWHJGMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2S/c1-4-23(5-2)22(27)16-28-20-14-25(19-9-7-6-8-18(19)20)15-21(26)24-12-10-17(3)11-13-24/h6-9,14,17H,4-5,10-13,15-16H2,1-3H3.
What are the key properties of N,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide?
N,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide has a molecular weight of 401.58 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 20902660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).