[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate

C19H23NO3S2 — CID 8506483

IUPAC[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
SMILESCc1cccc(C(C)C)c1NC(=O)COC(=O)CSCc1cccs1
InChIInChI=1S/C19H23NO3S2/c1-13(2)16-8-4-6-14(3)19(16)20-17(21)10-23-18(22)12-24-11-15-7-5-9-25-15/h4-9,13H,10-12H2,1-3H3,(H,20,21)
InChIKeyKDLFGYGTRBLWRD-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.60
Rot. Bonds8

About [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate

[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate (PubChem CID 8506483) has the molecular formula C19H23NO3S2 and a molecular weight of 377.53 g/mol. Its IUPAC name is [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate.

Molecular Properties

Compound Name[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
PubChem CID8506483
Molecular FormulaC19H23NO3S2
Molecular Weight377.53 g/mol
Exact Mass377.11
IUPAC Name[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
SMILESCc1cccc(C(C)C)c1NC(=O)COC(=O)CSCc1cccs1
InChIInChI=1S/C19H23NO3S2/c1-13(2)16-8-4-6-14(3)19(16)20-17(21)10-23-18(22)12-24-11-15-7-5-9-25-15/h4-9,13H,10-12H2,1-3H3,(H,20,21)
InChIKeyKDLFGYGTRBLWRD-UHFFFAOYSA-N
XLogP4.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962575
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8945648
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8506457
ethyl 4-[[2-[2-(thiophen-2-ylmethylsulfanyl)acetyl]oxyacetyl]amino]benzoate
CID 8506477
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228079
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983016
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] benzoate
CID 2105140
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7596356
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854161
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853550
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878208
1-O-methyl 4-O-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 9112146

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate?
The IUPAC name of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate (CID 8506483) is [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate.
What is the SMILES notation for [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate?
The canonical SMILES for [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate is Cc1cccc(C(C)C)c1NC(=O)COC(=O)CSCc1cccs1.
What is the InChIKey of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate?
The InChIKey is KDLFGYGTRBLWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S2/c1-13(2)16-8-4-6-14(3)19(16)20-17(21)10-23-18(22)12-24-11-15-7-5-9-25-15/h4-9,13H,10-12H2,1-3H3,(H,20,21).
What are the key properties of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate?
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate has a molecular weight of 377.53 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate is sourced from PubChem (CID 8506483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).