[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate

C17H20N2O5S2 — CID 55705138

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate
SMILESCC(C)N(C(=O)COC(=O)CNS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C17H20N2O5S2/c1-13(2)19(14-7-4-3-5-8-14)15(20)12-24-16(21)11-18-26(22,23)17-9-6-10-25-17/h3-10,13,18H,11-12H2,1-2H3
InChIKeyWKCWBSHFZPWRBG-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.01
Rot. Bonds8

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate (PubChem CID 55705138) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate
PubChem CID55705138
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate
SMILESCC(C)N(C(=O)COC(=O)CNS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C17H20N2O5S2/c1-13(2)19(14-7-4-3-5-8-14)15(20)12-24-16(21)11-18-26(22,23)17-9-6-10-25-17/h3-10,13,18H,11-12H2,1-2H3
InChIKeyWKCWBSHFZPWRBG-UHFFFAOYSA-N
XLogP2.01
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836966
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
CID 2354919
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7837000
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662774
[2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132820
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 43065279
4-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]pentanoic acid
CID 119188469
[2-oxo-2-(N-propan-2-ylanilino)ethyl] ethanesulfonate
CID 54206436
N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616390
2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 62626367
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate
CID 55317623
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(thiophen-2-ylsulfonylamino)acetate
CID 55705049

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate (CID 55705138) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate is CC(C)N(C(=O)COC(=O)CNS(=O)(=O)c1cccs1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The InChIKey is WKCWBSHFZPWRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-13(2)19(14-7-4-3-5-8-14)15(20)12-24-16(21)11-18-26(22,23)17-9-6-10-25-17/h3-10,13,18H,11-12H2,1-2H3.
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate has a molecular weight of 396.49 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 55705138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).