N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide

C19H22N2O2S — CID 959869

IUPACN-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide
SMILESCC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1OC
InChIInChI=1S/C19H22N2O2S/c1-4-13(2)14-9-5-7-11-16(14)20-19(24)21-18(22)15-10-6-8-12-17(15)23-3/h5-13H,4H2,1-3H3,(H2,20,21,22,24)/t13-/m1/s1
InChIKeyNMASTJRKAFOLMK-CYBMUJFWSA-N
MW342.46 g/mol
LogP4.34
Rot. Bonds5

About N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide

N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide (PubChem CID 959869) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide
PubChem CID959869
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide
SMILESCC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1OC
InChIInChI=1S/C19H22N2O2S/c1-4-13(2)14-9-5-7-11-16(14)20-19(24)21-18(22)15-10-6-8-12-17(15)23-3/h5-13H,4H2,1-3H3,(H2,20,21,22,24)/t13-/m1/s1
InChIKeyNMASTJRKAFOLMK-CYBMUJFWSA-N
XLogP4.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.34
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-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide
CID 40654739
N-[(2-butan-2-ylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 17100406
N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
CID 17151357
N-[(2-butan-2-ylphenyl)carbamothioyl]-2-nitrobenzamide
CID 2940125
N-[(2-butan-2-ylphenyl)carbamothioyl]acetamide
CID 2937950
N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 885156
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide
CID 823948
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2,5-diiodobenzamide
CID 124554564
N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 918771
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate
CID 7485747
2-[(2-methoxybenzoyl)carbamothioylamino]benzoate
CID 6945297
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-4-chlorobenzamide
CID 959760

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide?
The IUPAC name of N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide (CID 959869) is N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide?
The canonical SMILES for N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide is CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1OC.
What is the InChIKey of N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide?
The InChIKey is NMASTJRKAFOLMK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-4-13(2)14-9-5-7-11-16(14)20-19(24)21-18(22)15-10-6-8-12-17(15)23-3/h5-13H,4H2,1-3H3,(H2,20,21,22,24)/t13-/m1/s1.
What are the key properties of N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide?
N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide has a molecular weight of 342.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide is sourced from PubChem (CID 959869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).