N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide

C13H16N2O3S — CID 107468521

IUPACN-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide
SMILESCOc1cccc(C(N)=S)c1NC(=O)C1CCOC1
InChIInChI=1S/C13H16N2O3S/c1-17-10-4-2-3-9(12(14)19)11(10)15-13(16)8-5-6-18-7-8/h2-4,8H,5-7H2,1H3,(H2,14,19)(H,15,16)
InChIKeyPSSPCJWXFYTXAV-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.30
Rot. Bonds4

About N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide

N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide (PubChem CID 107468521) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide
PubChem CID107468521
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide
SMILESCOc1cccc(C(N)=S)c1NC(=O)C1CCOC1
InChIInChI=1S/C13H16N2O3S/c1-17-10-4-2-3-9(12(14)19)11(10)15-13(16)8-5-6-18-7-8/h2-4,8H,5-7H2,1H3,(H2,14,19)(H,15,16)
InChIKeyPSSPCJWXFYTXAV-UHFFFAOYSA-N
XLogP1.30
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-carbamothioyl-6-methoxyphenyl)-2-methyloxolane-3-carboxamide
CID 107468432
N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107468539
N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide
CID 107468166
N-(4-carbamothioyl-2-methoxyphenyl)oxane-3-carboxamide
CID 104849448
N-(6-methoxypyridazin-3-yl)oxolane-3-carboxamide
CID 155503304
1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea
CID 107468600
N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide
CID 107468545
N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide
CID 47494478
2-(cyclohexylsulfonylamino)-3-methoxybenzenecarbothioamide
CID 107468655
N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 107468459
N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide
CID 107468443
N-(2-carbamothioyl-6-methoxyphenyl)-2-methylpentanamide
CID 107468418

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide (CID 107468521) is N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide is COc1cccc(C(N)=S)c1NC(=O)C1CCOC1.
What is the InChIKey of N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide?
The InChIKey is PSSPCJWXFYTXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-17-10-4-2-3-9(12(14)19)11(10)15-13(16)8-5-6-18-7-8/h2-4,8H,5-7H2,1H3,(H2,14,19)(H,15,16).
What are the key properties of N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide?
N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 107468521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).