[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate

C19H23NO5S2 — CID 8506160

IUPAC[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(C(=O)COC(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)s1
InChIInChI=1S/C19H23NO5S2/c1-13(2)15-5-7-16(8-6-15)27(23,24)20-11-10-19(22)25-12-17(21)18-9-4-14(3)26-18/h4-9,13,20H,10-12H2,1-3H3
InChIKeyHULUJTWPDLKSMA-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.27
Rot. Bonds9

About [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate

[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate (PubChem CID 8506160) has the molecular formula C19H23NO5S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate
PubChem CID8506160
Molecular FormulaC19H23NO5S2
Molecular Weight409.53 g/mol
Exact Mass409.10
IUPAC Name[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(C(=O)COC(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)s1
InChIInChI=1S/C19H23NO5S2/c1-13(2)15-5-7-16(8-6-15)27(23,24)20-11-10-19(22)25-12-17(21)18-9-4-14(3)26-18/h4-9,13,20H,10-12H2,1-3H3
InChIKeyHULUJTWPDLKSMA-UHFFFAOYSA-N
XLogP3.27
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

(4-propan-2-ylphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168546
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035928
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 4-(methylsulfamoyl)benzoate
CID 18202847
methyl 3-[[4-(1-aminoethyl)phenyl]sulfonylamino]propanoate
CID 61295392
[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 42967356
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 30995341
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738856
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 26971328
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 40855373
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(benzenesulfonamido)propanoate
CID 7909281
propan-2-yl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 26540834
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010

Frequently Asked Questions

What is the IUPAC name of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate (CID 8506160) is [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate is Cc1ccc(C(=O)COC(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)s1.
What is the InChIKey of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate?
The InChIKey is HULUJTWPDLKSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S2/c1-13(2)15-5-7-16(8-6-15)27(23,24)20-11-10-19(22)25-12-17(21)18-9-4-14(3)26-18/h4-9,13,20H,10-12H2,1-3H3.
What are the key properties of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate?
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate has a molecular weight of 409.53 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 8506160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).