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

C22H31N3O2S — CID 20902364

IUPAC2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(SCC(=O)NC2CCCCC2)c2ccccc21
InChIInChI=1S/C22H31N3O2S/c1-3-24(4-2)22(27)15-25-14-20(18-12-8-9-13-19(18)25)28-16-21(26)23-17-10-6-5-7-11-17/h8-9,12-14,17H,3-7,10-11,15-16H2,1-2H3,(H,23,26)
InChIKeyPVZFRDICDBVJBC-UHFFFAOYSA-N
MW401.58 g/mol
LogP4.05
Rot. Bonds8

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

2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide (PubChem CID 20902364) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is 2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
PubChem CID20902364
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC Name2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(SCC(=O)NC2CCCCC2)c2ccccc21
InChIInChI=1S/C22H31N3O2S/c1-3-24(4-2)22(27)15-25-14-20(18-12-8-9-13-19(18)25)28-16-21(26)23-17-10-6-5-7-11-17/h8-9,12-14,17H,3-7,10-11,15-16H2,1-2H3,(H,23,26)
InChIKeyPVZFRDICDBVJBC-UHFFFAOYSA-N
XLogP4.05
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902366
2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563389
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902343
N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902534
2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902363
ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate
CID 20902365
N,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide
CID 20902356
N,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide
CID 20902660
N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide
CID 27637919
methyl 1-[2-(cycloheptylamino)-2-oxoethyl]indole-3-carboxylate
CID 848129
2-(3-benzoylindol-1-yl)-N-cyclohexylacetamide
CID 2202973
methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate
CID 645611

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide (CID 20902364) is 2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1cc(SCC(=O)NC2CCCCC2)c2ccccc21.
What is the InChIKey of 2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide?
The InChIKey is PVZFRDICDBVJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2S/c1-3-24(4-2)22(27)15-25-14-20(18-12-8-9-13-19(18)25)28-16-21(26)23-17-10-6-5-7-11-17/h8-9,12-14,17H,3-7,10-11,15-16H2,1-2H3,(H,23,26).
What are the key properties of 2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide?
2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide has a molecular weight of 401.58 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 20902364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).