[1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

C16H24N2O6S — CID 55927675

IUPAC[1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OC(C)C(=O)NC(C)C)cc1
InChIInChI=1S/C16H24N2O6S/c1-10(2)17-15(19)12(4)24-16(20)11(3)18-25(21,22)14-8-6-13(23-5)7-9-14/h6-12,18H,1-5H3,(H,17,19)/t11-,12?/m0/s1
InChIKeyZMUNPMQVXKSCQR-PXYINDEMSA-N
MW372.44 g/mol
LogP0.82
Rot. Bonds8

About [1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

[1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (PubChem CID 55927675) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is [1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
PubChem CID55927675
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name[1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OC(C)C(=O)NC(C)C)cc1
InChIInChI=1S/C16H24N2O6S/c1-10(2)17-15(19)12(4)24-16(20)11(3)18-25(21,22)14-8-6-13(23-5)7-9-14/h6-12,18H,1-5H3,(H,17,19)/t11-,12?/m0/s1
InChIKeyZMUNPMQVXKSCQR-PXYINDEMSA-N
XLogP0.82
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

(1-anilino-1-oxopropan-2-yl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55928591
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323799
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323696
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 7609248
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55937037
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 34675609
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841956
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 7609267

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of [1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (CID 55927675) is [1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for [1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OC(C)C(=O)NC(C)C)cc1.
What is the InChIKey of [1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The InChIKey is ZMUNPMQVXKSCQR-PXYINDEMSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-10(2)17-15(19)12(4)24-16(20)11(3)18-25(21,22)14-8-6-13(23-5)7-9-14/h6-12,18H,1-5H3,(H,17,19)/t11-,12?/m0/s1.
What are the key properties of [1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
[1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate has a molecular weight of 372.44 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 55927675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).