1-(4-chlorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide

C13H16ClN3O2S — CID 134793454

IUPAC1-(4-chlorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide
SMILESCSCCNC(=O)C1CN(c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C13H16ClN3O2S/c1-20-7-6-15-12(18)11-8-17(13(19)16-11)10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyRFEZPQIDENBOET-UHFFFAOYSA-N
MW313.81 g/mol
LogP1.72
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide

1-(4-chlorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide (PubChem CID 134793454) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide
PubChem CID134793454
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name1-(4-chlorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide
SMILESCSCCNC(=O)C1CN(c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C13H16ClN3O2S/c1-20-7-6-15-12(18)11-8-17(13(19)16-11)10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyRFEZPQIDENBOET-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide (CID 134793454) is 1-(4-chlorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide is CSCCNC(=O)C1CN(c2ccc(Cl)cc2)C(=O)N1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide?
The InChIKey is RFEZPQIDENBOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-20-7-6-15-12(18)11-8-17(13(19)16-11)10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 1-(4-chlorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide?
1-(4-chlorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide has a molecular weight of 313.81 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 134793454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).