(2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide

C13H16ClNO4S — CID 27015562

IUPAC(2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H16ClNO4S/c1-9(19-12-4-2-3-10(14)7-12)13(16)15-11-5-6-20(17,18)8-11/h2-4,7,9,11H,5-6,8H2,1H3,(H,15,16)/t9-,11+/m1/s1
InChIKeyUKURLWBPMHNZHH-KOLCDFICSA-N
MW317.79 g/mol
LogP1.41
Rot. Bonds4

About (2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide

(2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide (PubChem CID 27015562) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
PubChem CID27015562
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H16ClNO4S/c1-9(19-12-4-2-3-10(14)7-12)13(16)15-11-5-6-20(17,18)8-11/h2-4,7,9,11H,5-6,8H2,1H3,(H,15,16)/t9-,11+/m1/s1
InChIKeyUKURLWBPMHNZHH-KOLCDFICSA-N
XLogP1.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide with MolForge

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Related Compounds

[(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 8982661
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
methyl 3-[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl]oxybenzoate
CID 8639967
(2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
CID 94006431
N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide
CID 18837889
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenoxy)propanamide
CID 62229825
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
[(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737842
2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 46581771
2-(3-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4805342
dimethyl 5-[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl]oxybenzene-1,3-dicarboxylate
CID 8740551
3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032691

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide (CID 27015562) is (2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide is C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide?
The InChIKey is UKURLWBPMHNZHH-KOLCDFICSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c1-9(19-12-4-2-3-10(14)7-12)13(16)15-11-5-6-20(17,18)8-11/h2-4,7,9,11H,5-6,8H2,1H3,(H,15,16)/t9-,11+/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide?
(2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide has a molecular weight of 317.79 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide is sourced from PubChem (CID 27015562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).