5-oxo-2-propyl-5-(4-sulfamoylanilino)pentanoic acid

C14H20N2O5S — CID 2897467

IUPAC5-oxo-2-propyl-5-(4-sulfamoylanilino)pentanoic acid
SMILESCCCC(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O
InChIInChI=1S/C14H20N2O5S/c1-2-3-10(14(18)19)4-9-13(17)16-11-5-7-12(8-6-11)22(15,20)21/h5-8,10H,2-4,9H2,1H3,(H,16,17)(H,18,19)(H2,15,20,21)
InChIKeyBAZCYPMYDLTJRW-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.55
Rot. Bonds8

About 5-oxo-2-propyl-5-(4-sulfamoylanilino)pentanoic acid

5-oxo-2-propyl-5-(4-sulfamoylanilino)pentanoic acid (PubChem CID 2897467) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 5-oxo-2-propyl-5-(4-sulfamoylanilino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-2-propyl-5-(4-sulfamoylanilino)pentanoic acid
PubChem CID2897467
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name5-oxo-2-propyl-5-(4-sulfamoylanilino)pentanoic acid
SMILESCCCC(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O
InChIInChI=1S/C14H20N2O5S/c1-2-3-10(14(18)19)4-9-13(17)16-11-5-7-12(8-6-11)22(15,20)21/h5-8,10H,2-4,9H2,1H3,(H,16,17)(H,18,19)(H2,15,20,21)
InChIKeyBAZCYPMYDLTJRW-UHFFFAOYSA-N
XLogP1.55
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-propyl-5-(4-sulfamoylanilino)pentanoic acid?
The IUPAC name of 5-oxo-2-propyl-5-(4-sulfamoylanilino)pentanoic acid (CID 2897467) is 5-oxo-2-propyl-5-(4-sulfamoylanilino)pentanoic acid.
What is the SMILES notation for 5-oxo-2-propyl-5-(4-sulfamoylanilino)pentanoic acid?
The canonical SMILES for 5-oxo-2-propyl-5-(4-sulfamoylanilino)pentanoic acid is CCCC(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O.
What is the InChIKey of 5-oxo-2-propyl-5-(4-sulfamoylanilino)pentanoic acid?
The InChIKey is BAZCYPMYDLTJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-2-3-10(14(18)19)4-9-13(17)16-11-5-7-12(8-6-11)22(15,20)21/h5-8,10H,2-4,9H2,1H3,(H,16,17)(H,18,19)(H2,15,20,21).
What are the key properties of 5-oxo-2-propyl-5-(4-sulfamoylanilino)pentanoic acid?
5-oxo-2-propyl-5-(4-sulfamoylanilino)pentanoic acid has a molecular weight of 328.39 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-propyl-5-(4-sulfamoylanilino)pentanoic acid is sourced from PubChem (CID 2897467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).