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

C14H18N2O3S — CID 107468432

IUPACN-(2-carbamothioyl-6-methoxyphenyl)-2-methyloxolane-3-carboxamide
SMILESCOc1cccc(C(N)=S)c1NC(=O)C1CCOC1C
InChIInChI=1S/C14H18N2O3S/c1-8-9(6-7-19-8)14(17)16-12-10(13(15)20)4-3-5-11(12)18-2/h3-5,8-9H,6-7H2,1-2H3,(H2,15,20)(H,16,17)
InChIKeyRPWSFEBMUGDRNT-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.69
Rot. Bonds4

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

N-(2-carbamothioyl-6-methoxyphenyl)-2-methyloxolane-3-carboxamide (PubChem CID 107468432) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(2-carbamothioyl-6-methoxyphenyl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-6-methoxyphenyl)-2-methyloxolane-3-carboxamide
PubChem CID107468432
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(2-carbamothioyl-6-methoxyphenyl)-2-methyloxolane-3-carboxamide
SMILESCOc1cccc(C(N)=S)c1NC(=O)C1CCOC1C
InChIInChI=1S/C14H18N2O3S/c1-8-9(6-7-19-8)14(17)16-12-10(13(15)20)4-3-5-11(12)18-2/h3-5,8-9H,6-7H2,1-2H3,(H2,15,20)(H,16,17)
InChIKeyRPWSFEBMUGDRNT-UHFFFAOYSA-N
XLogP1.69
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.69
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)oxolane-3-carboxamide
CID 107468521
N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107468539
N-(4-carbamothioylphenyl)-2-methyloxolane-3-carboxamide
CID 79760045
N-(5-bromo-2-carbamothioylphenyl)-2-methyloxolane-3-carboxamide
CID 107798813
(2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 115792913
1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea
CID 107468600
N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79763446
N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide
CID 107468545
2-methyl-N-phenyloxolane-3-carboxamide
CID 79758849
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

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-6-methoxyphenyl)-2-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-carbamothioyl-6-methoxyphenyl)-2-methyloxolane-3-carboxamide (CID 107468432) is N-(2-carbamothioyl-6-methoxyphenyl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-6-methoxyphenyl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-6-methoxyphenyl)-2-methyloxolane-3-carboxamide is COc1cccc(C(N)=S)c1NC(=O)C1CCOC1C.
What is the InChIKey of N-(2-carbamothioyl-6-methoxyphenyl)-2-methyloxolane-3-carboxamide?
The InChIKey is RPWSFEBMUGDRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-8-9(6-7-19-8)14(17)16-12-10(13(15)20)4-3-5-11(12)18-2/h3-5,8-9H,6-7H2,1-2H3,(H2,15,20)(H,16,17).
What are the key properties of N-(2-carbamothioyl-6-methoxyphenyl)-2-methyloxolane-3-carboxamide?
N-(2-carbamothioyl-6-methoxyphenyl)-2-methyloxolane-3-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.69, 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)-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 107468432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).