[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate

C23H28N2O6S2 — CID 55448911

IUPAC[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
SMILESCC(=O)NCc1ccc(C(=O)C(C)OC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1
InChIInChI=1S/C23H28N2O6S2/c1-16(23(28)21-11-8-19(32-21)15-24-17(2)26)31-22(27)14-18-6-9-20(10-7-18)33(29,30)25-12-4-3-5-13-25/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,26)
InChIKeyLTVDXOFYZZOVHL-UHFFFAOYSA-N
MW492.62 g/mol
LogP2.92
Rot. Bonds9

About [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate

[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate (PubChem CID 55448911) has the molecular formula C23H28N2O6S2 and a molecular weight of 492.62 g/mol. Its IUPAC name is [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate.

Molecular Properties

Compound Name[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
PubChem CID55448911
Molecular FormulaC23H28N2O6S2
Molecular Weight492.62 g/mol
Exact Mass492.14
IUPAC Name[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
SMILESCC(=O)NCc1ccc(C(=O)C(C)OC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1
InChIInChI=1S/C23H28N2O6S2/c1-16(23(28)21-11-8-19(32-21)15-24-17(2)26)31-22(27)14-18-6-9-20(10-7-18)33(29,30)25-12-4-3-5-13-25/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,26)
InChIKeyLTVDXOFYZZOVHL-UHFFFAOYSA-N
XLogP2.92
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 55448922
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 7555478
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate
CID 46624378
[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 2-phenylacetate
CID 7874721
N-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 120832248
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 43034437
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 17248838
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-(4-methylphenyl)acetamide
CID 53112471
N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9399959
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 46644557
[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(2-methoxyphenyl)acetate
CID 25161608
N-[(2R,4S)-4-hydroxypentan-2-yl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 97350505

Frequently Asked Questions

What is the IUPAC name of [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
The IUPAC name of [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate (CID 55448911) is [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate.
What is the SMILES notation for [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
The canonical SMILES for [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate is CC(=O)NCc1ccc(C(=O)C(C)OC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1.
What is the InChIKey of [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
The InChIKey is LTVDXOFYZZOVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6S2/c1-16(23(28)21-11-8-19(32-21)15-24-17(2)26)31-22(27)14-18-6-9-20(10-7-18)33(29,30)25-12-4-3-5-13-25/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,26).
What are the key properties of [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate has a molecular weight of 492.62 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate is sourced from PubChem (CID 55448911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).