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

C16H22N2O5S — CID 16523089

IUPAC[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclopentylacetate
SMILESCC(OC(=O)CC1CCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H22N2O5S/c1-11(23-15(19)10-12-4-2-3-5-12)16(20)18-13-6-8-14(9-7-13)24(17,21)22/h6-9,11-12H,2-5,10H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyIWLOFGKYHFDXHE-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.78
Rot. Bonds6

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

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclopentylacetate (PubChem CID 16523089) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclopentylacetate
PubChem CID16523089
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclopentylacetate
SMILESCC(OC(=O)CC1CCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H22N2O5S/c1-11(23-15(19)10-12-4-2-3-5-12)16(20)18-13-6-8-14(9-7-13)24(17,21)22/h6-9,11-12H,2-5,10H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyIWLOFGKYHFDXHE-UHFFFAOYSA-N
XLogP1.78
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.78
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-cyclopentylacetate?
The IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclopentylacetate (CID 16523089) is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclopentylacetate.
What is the SMILES notation for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclopentylacetate?
The canonical SMILES for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclopentylacetate is CC(OC(=O)CC1CCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclopentylacetate?
The InChIKey is IWLOFGKYHFDXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-11(23-15(19)10-12-4-2-3-5-12)16(20)18-13-6-8-14(9-7-13)24(17,21)22/h6-9,11-12H,2-5,10H2,1H3,(H,18,20)(H2,17,21,22).
What are the key properties of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclopentylacetate?
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclopentylacetate has a molecular weight of 354.43 g/mol, XLogP of 1.78, 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-cyclopentylacetate is sourced from PubChem (CID 16523089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).