N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide

C14H20N2O2S — CID 107468443

IUPACN-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1c(OC)cccc1C(N)=S
InChIInChI=1S/C14H20N2O2S/c1-4-9(2)8-12(17)16-13-10(14(15)19)6-5-7-11(13)18-3/h5-7,9H,4,8H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyXUOCALBMZWIULJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.70
Rot. Bonds6

About N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide

N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide (PubChem CID 107468443) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide
PubChem CID107468443
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1c(OC)cccc1C(N)=S
InChIInChI=1S/C14H20N2O2S/c1-4-9(2)8-12(17)16-13-10(14(15)19)6-5-7-11(13)18-3/h5-7,9H,4,8H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyXUOCALBMZWIULJ-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.70
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-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide
CID 107468545
N-(2-carbamothioyl-6-methoxyphenyl)-2-methylpentanamide
CID 107468418
1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea
CID 107468600
N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 107468459
N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 107468519
N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107468539
3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarbothioamide
CID 107468665
N-(2-carbamothioyl-6-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 107468485
N-(2-carbamothioyl-6-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107468410
2-ethyl-3-methoxybenzenecarbothioamide
CID 91875220
N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide
CID 107468521
N-(2-carbamothioyl-6-methoxyphenyl)-2-methyloxolane-3-carboxamide
CID 107468432

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide?
The IUPAC name of N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide (CID 107468443) is N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide.
What is the SMILES notation for N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide?
The canonical SMILES for N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide is CCC(C)CC(=O)Nc1c(OC)cccc1C(N)=S.
What is the InChIKey of N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide?
The InChIKey is XUOCALBMZWIULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-9(2)8-12(17)16-13-10(14(15)19)6-5-7-11(13)18-3/h5-7,9H,4,8H2,1-3H3,(H2,15,19)(H,16,17).
What are the key properties of N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide?
N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide has a molecular weight of 280.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide is sourced from PubChem (CID 107468443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).