[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate

C17H16FN3O6S — CID 29155285

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)CNC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H16FN3O6S/c18-12-4-1-3-11(7-12)17(24)20-9-16(23)27-10-15(22)21-13-5-2-6-14(8-13)28(19,25)26/h1-8H,9-10H2,(H,20,24)(H,21,22)(H2,19,25,26)
InChIKeyWTLCVGBGJXNQLQ-UHFFFAOYSA-N
MW409.40 g/mol
LogP0.38
Rot. Bonds7

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 29155285) has the molecular formula C17H16FN3O6S and a molecular weight of 409.40 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID29155285
Molecular FormulaC17H16FN3O6S
Molecular Weight409.40 g/mol
Exact Mass409.07
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)CNC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H16FN3O6S/c18-12-4-1-3-11(7-12)17(24)20-9-16(23)27-10-15(22)21-13-5-2-6-14(8-13)28(19,25)26/h1-8H,9-10H2,(H,20,24)(H,21,22)(H2,19,25,26)
InChIKeyWTLCVGBGJXNQLQ-UHFFFAOYSA-N
XLogP0.38
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877443
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548549
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662792
[2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55303991
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548489
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 16598734
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662810
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662487
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662788
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548358
[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625469
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954051

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate (CID 29155285) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)CNC(=O)c2cccc(F)c2)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is WTLCVGBGJXNQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O6S/c18-12-4-1-3-11(7-12)17(24)20-9-16(23)27-10-15(22)21-13-5-2-6-14(8-13)28(19,25)26/h1-8H,9-10H2,(H,20,24)(H,21,22)(H2,19,25,26).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate has a molecular weight of 409.40 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 29155285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).