2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid

C14H14ClFN2O4S — CID 120551490

IUPAC2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)NC1CCN(c2ccc(Cl)c(F)c2)C1=O
InChIInChI=1S/C14H14ClFN2O4S/c15-9-2-1-8(5-10(9)16)18-4-3-11(14(18)22)17-12(19)6-23-7-13(20)21/h1-2,5,11H,3-4,6-7H2,(H,17,19)(H,20,21)
InChIKeyWXJOFMFFBJOPAD-UHFFFAOYSA-N
MW360.79 g/mol
LogP1.52
Rot. Bonds6

About 2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid

2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 120551490) has the molecular formula C14H14ClFN2O4S and a molecular weight of 360.79 g/mol. Its IUPAC name is 2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID120551490
Molecular FormulaC14H14ClFN2O4S
Molecular Weight360.79 g/mol
Exact Mass360.03
IUPAC Name2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)NC1CCN(c2ccc(Cl)c(F)c2)C1=O
InChIInChI=1S/C14H14ClFN2O4S/c15-9-2-1-8(5-10(9)16)18-4-3-11(14(18)22)17-12(19)6-23-7-13(20)21/h1-2,5,11H,3-4,6-7H2,(H,17,19)(H,20,21)
InChIKeyWXJOFMFFBJOPAD-UHFFFAOYSA-N
XLogP1.52
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.79
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid with MolForge

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Related Compounds

N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
CID 97329341
3-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-1-(2,2-difluoroethyl)-1-methylurea
CID 75436656
2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 120993763
N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide
CID 97329654
N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 75395006
1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one
CID 75441668
3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 19710982
(3S)-1-(4-chloro-3-fluorophenyl)-3-[[(2R)-4-morpholin-4-yl-4-oxobutan-2-yl]amino]pyrrolidin-2-one
CID 97333013
1-(4-chloro-3-fluorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)pyrrolidin-2-one
CID 102554153
4-[[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122009226
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119798470
1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133462212

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid (CID 120551490) is 2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid is O=C(O)CSCC(=O)NC1CCN(c2ccc(Cl)c(F)c2)C1=O.
What is the InChIKey of 2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is WXJOFMFFBJOPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O4S/c15-9-2-1-8(5-10(9)16)18-4-3-11(14(18)22)17-12(19)6-23-7-13(20)21/h1-2,5,11H,3-4,6-7H2,(H,17,19)(H,20,21).
What are the key properties of 2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 360.79 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 120551490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).