N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide

C13H18N2O2S — CID 107468545

IUPACN-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1c(OC)cccc1C(N)=S
InChIInChI=1S/C13H18N2O2S/c1-4-8(2)13(16)15-11-9(12(14)18)6-5-7-10(11)17-3/h5-8H,4H2,1-3H3,(H2,14,18)(H,15,16)
InChIKeyYDEZBDIKFKUYMK-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.31
Rot. Bonds5

About N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide

N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide (PubChem CID 107468545) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide
PubChem CID107468545
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1c(OC)cccc1C(N)=S
InChIInChI=1S/C13H18N2O2S/c1-4-8(2)13(16)15-11-9(12(14)18)6-5-7-10(11)17-3/h5-8H,4H2,1-3H3,(H2,14,18)(H,15,16)
InChIKeyYDEZBDIKFKUYMK-UHFFFAOYSA-N
XLogP2.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.31
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-methylpentanamide
CID 107468418
N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide
CID 107468443
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)-2-methyl-1,3-thiazole-4-carboxamide
CID 107468410
2-ethyl-3-methoxybenzenecarbothioamide
CID 91875220
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 61121088
N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide
CID 107468521
N-(2-carbamothioyl-6-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 107468485

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide?
The IUPAC name of N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide (CID 107468545) is N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide.
What is the SMILES notation for N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide?
The canonical SMILES for N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide is CCC(C)C(=O)Nc1c(OC)cccc1C(N)=S.
What is the InChIKey of N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide?
The InChIKey is YDEZBDIKFKUYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-4-8(2)13(16)15-11-9(12(14)18)6-5-7-10(11)17-3/h5-8H,4H2,1-3H3,(H2,14,18)(H,15,16).
What are the key properties of N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide?
N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide has a molecular weight of 266.37 g/mol, XLogP of 2.31, 5 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)-2-methylbutanamide is sourced from PubChem (CID 107468545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).