[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

C18H22N2O5S2 — CID 7836966

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
SMILESCC(C)N(C(=O)COC(=O)CCNS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C18H22N2O5S2/c1-14(2)20(15-7-4-3-5-8-15)16(21)13-25-17(22)10-11-19-27(23,24)18-9-6-12-26-18/h3-9,12,14,19H,10-11,13H2,1-2H3
InChIKeyZQNPMDXFXGPQRU-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.40
Rot. Bonds9

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate (PubChem CID 7836966) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
PubChem CID7836966
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
SMILESCC(C)N(C(=O)COC(=O)CCNS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C18H22N2O5S2/c1-14(2)20(15-7-4-3-5-8-15)16(21)13-25-17(22)10-11-19-27(23,24)18-9-6-12-26-18/h3-9,12,14,19H,10-11,13H2,1-2H3
InChIKeyZQNPMDXFXGPQRU-UHFFFAOYSA-N
XLogP2.40
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 55705138
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7837000
2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 62626367
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827325
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 30197174
[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 2468453
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836920
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
CID 2354919
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836941
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 55320597
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate (CID 7836966) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate is CC(C)N(C(=O)COC(=O)CCNS(=O)(=O)c1cccs1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The InChIKey is ZQNPMDXFXGPQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-14(2)20(15-7-4-3-5-8-15)16(21)13-25-17(22)10-11-19-27(23,24)18-9-6-12-26-18/h3-9,12,14,19H,10-11,13H2,1-2H3.
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate has a molecular weight of 410.52 g/mol, XLogP of 2.40, 9 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] 3-(thiophen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 7836966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).