[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate

C14H20N2O5S — CID 7790407

IUPAC[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate
SMILESCCCCC(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N2O5S/c1-3-4-5-13(17)21-10(2)14(18)16-11-6-8-12(9-7-11)22(15,19)20/h6-10H,3-5H2,1-2H3,(H,16,18)(H2,15,19,20)/t10-/m1/s1
InChIKeyLANRVNMFUMIDIH-SNVBAGLBSA-N
MW328.39 g/mol
LogP1.39
Rot. Bonds7

About [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate

[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate (PubChem CID 7790407) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate
PubChem CID7790407
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate
SMILESCCCCC(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N2O5S/c1-3-4-5-13(17)21-10(2)14(18)16-11-6-8-12(9-7-11)22(15,19)20/h6-10H,3-5H2,1-2H3,(H,16,18)(H2,15,19,20)/t10-/m1/s1
InChIKeyLANRVNMFUMIDIH-SNVBAGLBSA-N
XLogP1.39
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate
CID 42970369
[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] pentanoate
CID 7790419
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 42918457
[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-(4-sulfamoylphenyl)propanoate
CID 46812038
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate
CID 16504393
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate
CID 16543429
[(2S)-1-anilino-1-oxopropan-2-yl] dodecanoate
CID 98093239
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-(3-methylphenoxy)propanoate
CID 9139387
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate
CID 7211739
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(3,4-dimethylphenoxy)acetate
CID 8922985
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 16532565

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate?
The IUPAC name of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate (CID 7790407) is [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate.
What is the SMILES notation for [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate?
The canonical SMILES for [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate is CCCCC(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate?
The InChIKey is LANRVNMFUMIDIH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-3-4-5-13(17)21-10(2)14(18)16-11-6-8-12(9-7-11)22(15,19)20/h6-10H,3-5H2,1-2H3,(H,16,18)(H2,15,19,20)/t10-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate?
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate has a molecular weight of 328.39 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate is sourced from PubChem (CID 7790407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).