[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate

C15H13ClN2O4S — CID 17396566

IUPAC[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
SMILESCC(OC(=O)c1sc2ccccc2c1Cl)C(=O)N1CCNC1=O
InChIInChI=1S/C15H13ClN2O4S/c1-8(13(19)18-7-6-17-15(18)21)22-14(20)12-11(16)9-4-2-3-5-10(9)23-12/h2-5,8H,6-7H2,1H3,(H,17,21)
InChIKeySMWXZLLEGCUMOQ-UHFFFAOYSA-N
MW352.80 g/mol
LogP2.65
Rot. Bonds3

About [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate (PubChem CID 17396566) has the molecular formula C15H13ClN2O4S and a molecular weight of 352.80 g/mol. Its IUPAC name is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
PubChem CID17396566
Molecular FormulaC15H13ClN2O4S
Molecular Weight352.80 g/mol
Exact Mass352.03
IUPAC Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
SMILESCC(OC(=O)c1sc2ccccc2c1Cl)C(=O)N1CCNC1=O
InChIInChI=1S/C15H13ClN2O4S/c1-8(13(19)18-7-6-17-15(18)21)22-14(20)12-11(16)9-4-2-3-5-10(9)23-12/h2-5,8H,6-7H2,1H3,(H,17,21)
InChIKeySMWXZLLEGCUMOQ-UHFFFAOYSA-N
XLogP2.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 41078521
[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 7395258
[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 7824720
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate
CID 38624577
1-phenylethyl 3-chloro-1-benzothiophene-2-carboxylate
CID 16528489
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 2631136
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate
CID 24531317
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 7824744
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate
CID 18099018
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-chloro-2-hydroxybenzoate
CID 8888771
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate
CID 8976431
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate
CID 18090807

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate?
The IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate (CID 17396566) is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate.
What is the SMILES notation for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate?
The canonical SMILES for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate is CC(OC(=O)c1sc2ccccc2c1Cl)C(=O)N1CCNC1=O.
What is the InChIKey of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate?
The InChIKey is SMWXZLLEGCUMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4S/c1-8(13(19)18-7-6-17-15(18)21)22-14(20)12-11(16)9-4-2-3-5-10(9)23-12/h2-5,8H,6-7H2,1H3,(H,17,21).
What are the key properties of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate?
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate has a molecular weight of 352.80 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 17396566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).