[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate

C19H22N2O5S — CID 16504393

IUPAC[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate
SMILESCC(OC(=O)CC(C)c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H22N2O5S/c1-13(15-6-4-3-5-7-15)12-18(22)26-14(2)19(23)21-16-8-10-17(11-9-16)27(20,24)25/h3-11,13-14H,12H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyRUQBERXNHNAADG-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.40
Rot. Bonds7

About [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate (PubChem CID 16504393) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate.

Molecular Properties

Compound Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate
PubChem CID16504393
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate
SMILESCC(OC(=O)CC(C)c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H22N2O5S/c1-13(15-6-4-3-5-7-15)12-18(22)26-14(2)19(23)21-16-8-10-17(11-9-16)27(20,24)25/h3-11,13-14H,12H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyRUQBERXNHNAADG-UHFFFAOYSA-N
XLogP2.40
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3S)-3-benzamido-3-phenylpropanoate
CID 26384443
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate
CID 7227867
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate
CID 42970369
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] (3S)-3-phenylbutanoate
CID 7227844
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate
CID 7790407
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate
CID 7833590
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-bromobenzoate
CID 16539796
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate
CID 9440930
[(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
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate
CID 7227791
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate
CID 7265946

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate?
The IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate (CID 16504393) is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate.
What is the SMILES notation for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate?
The canonical SMILES for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate is CC(OC(=O)CC(C)c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate?
The InChIKey is RUQBERXNHNAADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13(15-6-4-3-5-7-15)12-18(22)26-14(2)19(23)21-16-8-10-17(11-9-16)27(20,24)25/h3-11,13-14H,12H2,1-2H3,(H,21,23)(H2,20,24,25).
What are the key properties of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate?
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate has a molecular weight of 390.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate is sourced from PubChem (CID 16504393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).