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

C17H24N2O5S — CID 24979486

IUPAC[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclohexylacetate
SMILESCC(OC(=O)CC1CCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H24N2O5S/c1-12(24-16(20)11-13-5-3-2-4-6-13)17(21)19-14-7-9-15(10-8-14)25(18,22)23/h7-10,12-13H,2-6,11H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyJOFMVOLPXHUIDO-UHFFFAOYSA-N
MW368.45 g/mol
LogP2.17
Rot. Bonds6

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

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclohexylacetate (PubChem CID 24979486) has the molecular formula C17H24N2O5S and a molecular weight of 368.45 g/mol. Its IUPAC name is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclohexylacetate.

Molecular Properties

Compound Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclohexylacetate
PubChem CID24979486
Molecular FormulaC17H24N2O5S
Molecular Weight368.45 g/mol
Exact Mass368.14
IUPAC Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclohexylacetate
SMILESCC(OC(=O)CC1CCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H24N2O5S/c1-12(24-16(20)11-13-5-3-2-4-6-13)17(21)19-14-7-9-15(10-8-14)25(18,22)23/h7-10,12-13H,2-6,11H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyJOFMVOLPXHUIDO-UHFFFAOYSA-N
XLogP2.17
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclohexylacetate?
The IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclohexylacetate (CID 24979486) is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclohexylacetate.
What is the SMILES notation for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclohexylacetate?
The canonical SMILES for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclohexylacetate is CC(OC(=O)CC1CCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclohexylacetate?
The InChIKey is JOFMVOLPXHUIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-12(24-16(20)11-13-5-3-2-4-6-13)17(21)19-14-7-9-15(10-8-14)25(18,22)23/h7-10,12-13H,2-6,11H2,1H3,(H,19,21)(H2,18,22,23).
What are the key properties of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclohexylacetate?
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclohexylacetate has a molecular weight of 368.45 g/mol, XLogP of 2.17, 6 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] 2-cyclohexylacetate is sourced from PubChem (CID 24979486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).