2-[1-[2-oxo-2-(3-sulfamoylanilino)ethyl]cyclopentyl]acetic acid

C15H20N2O5S — CID 4259054

IUPAC2-[1-[2-oxo-2-(3-sulfamoylanilino)ethyl]cyclopentyl]acetic acid
SMILESNS(=O)(=O)c1cccc(NC(=O)CC2(CC(=O)O)CCCC2)c1
InChIInChI=1S/C15H20N2O5S/c16-23(21,22)12-5-3-4-11(8-12)17-13(18)9-15(10-14(19)20)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10H2,(H,17,18)(H,19,20)(H2,16,21,22)
InChIKeyQUSVCEXESWFGTP-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.70
Rot. Bonds6

About 2-[1-[2-oxo-2-(3-sulfamoylanilino)ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-(3-sulfamoylanilino)ethyl]cyclopentyl]acetic acid (PubChem CID 4259054) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(3-sulfamoylanilino)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(3-sulfamoylanilino)ethyl]cyclopentyl]acetic acid
PubChem CID4259054
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-[1-[2-oxo-2-(3-sulfamoylanilino)ethyl]cyclopentyl]acetic acid
SMILESNS(=O)(=O)c1cccc(NC(=O)CC2(CC(=O)O)CCCC2)c1
InChIInChI=1S/C15H20N2O5S/c16-23(21,22)12-5-3-4-11(8-12)17-13(18)9-15(10-14(19)20)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10H2,(H,17,18)(H,19,20)(H2,16,21,22)
InChIKeyQUSVCEXESWFGTP-UHFFFAOYSA-N
XLogP1.70
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(3-sulfamoylanilino)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(3-sulfamoylanilino)ethyl]cyclopentyl]acetic acid (CID 4259054) is 2-[1-[2-oxo-2-(3-sulfamoylanilino)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(3-sulfamoylanilino)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(3-sulfamoylanilino)ethyl]cyclopentyl]acetic acid is NS(=O)(=O)c1cccc(NC(=O)CC2(CC(=O)O)CCCC2)c1.
What is the InChIKey of 2-[1-[2-oxo-2-(3-sulfamoylanilino)ethyl]cyclopentyl]acetic acid?
The InChIKey is QUSVCEXESWFGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c16-23(21,22)12-5-3-4-11(8-12)17-13(18)9-15(10-14(19)20)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10H2,(H,17,18)(H,19,20)(H2,16,21,22).
What are the key properties of 2-[1-[2-oxo-2-(3-sulfamoylanilino)ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-(3-sulfamoylanilino)ethyl]cyclopentyl]acetic acid has a molecular weight of 340.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(3-sulfamoylanilino)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 4259054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).