2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide

C24H27N3O3S — CID 20902363

IUPAC2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(SCC(=O)Nc2ccc(C(C)=O)cc2)c2ccccc21
InChIInChI=1S/C24H27N3O3S/c1-4-26(5-2)24(30)15-27-14-22(20-8-6-7-9-21(20)27)31-16-23(29)25-19-12-10-18(11-13-19)17(3)28/h6-14H,4-5,15-16H2,1-3H3,(H,25,29)
InChIKeyOKYKHPSUQUOTIU-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.44
Rot. Bonds9

About 2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide

2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide (PubChem CID 20902363) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
PubChem CID20902363
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(SCC(=O)Nc2ccc(C(C)=O)cc2)c2ccccc21
InChIInChI=1S/C24H27N3O3S/c1-4-26(5-2)24(30)15-27-14-22(20-8-6-7-9-21(20)27)31-16-23(29)25-19-12-10-18(11-13-19)17(3)28/h6-14H,4-5,15-16H2,1-3H3,(H,25,29)
InChIKeyOKYKHPSUQUOTIU-UHFFFAOYSA-N
XLogP4.44
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(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
ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate
CID 20902365
ethyl 4-[[2-(1-ethylindol-3-yl)sulfanylacetyl]amino]benzoate
CID 3420060
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3325904
N-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide
CID 22334574
2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3621175
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563369
N-[2-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4096729
2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3439437

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide (CID 20902363) is 2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1cc(SCC(=O)Nc2ccc(C(C)=O)cc2)c2ccccc21.
What is the InChIKey of 2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide?
The InChIKey is OKYKHPSUQUOTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-4-26(5-2)24(30)15-27-14-22(20-8-6-7-9-21(20)27)31-16-23(29)25-19-12-10-18(11-13-19)17(3)28/h6-14H,4-5,15-16H2,1-3H3,(H,25,29).
What are the key properties of 2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide?
2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide has a molecular weight of 437.57 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 20902363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).