N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide

C15H19ClN2O2S — CID 65155869

IUPACN-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)Nc2cc(Cl)ccc2C(N)=S)C1C
InChIInChI=1S/C15H19ClN2O2S/c1-7-8(2)20-9(3)13(7)15(19)18-12-6-10(16)4-5-11(12)14(17)21/h4-9,13H,1-3H3,(H2,17,21)(H,18,19)
InChIKeyFEKCVVTVFZRNFJ-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.97
Rot. Bonds3

About N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65155869) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65155869
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC NameN-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)Nc2cc(Cl)ccc2C(N)=S)C1C
InChIInChI=1S/C15H19ClN2O2S/c1-7-8(2)20-9(3)13(7)15(19)18-12-6-10(16)4-5-11(12)14(17)21/h4-9,13H,1-3H3,(H2,17,21)(H,18,19)
InChIKeyFEKCVVTVFZRNFJ-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-carbamothioylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 82693983
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810
N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65156416
N-(2-carbamothioyl-5-chlorophenyl)-2,2-dimethylbutanamide
CID 64915596
N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide
CID 64917019
1-tert-butyl-3-(2-carbamothioyl-5-chlorophenyl)urea
CID 64917889
4-chloro-2-[(2-methyloxolan-3-yl)amino]benzenecarbothioamide
CID 82729339
N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 64915208
N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 104667369
1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea
CID 64920032
N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide
CID 106684980
2-(2-carbamothioyl-5-chloroanilino)-3-methylbutanamide
CID 106345658

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 65155869) is N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)Nc2cc(Cl)ccc2C(N)=S)C1C.
What is the InChIKey of N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is FEKCVVTVFZRNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-7-8(2)20-9(3)13(7)15(19)18-12-6-10(16)4-5-11(12)14(17)21/h4-9,13H,1-3H3,(H2,17,21)(H,18,19).
What are the key properties of N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 326.85 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65155869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).