N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide

C20H24N2O3S — CID 40654739

IUPACN-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide
SMILESCC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C20H24N2O3S/c1-5-13(2)14-9-6-7-10-15(14)21-20(26)22-19(23)18-16(24-3)11-8-12-17(18)25-4/h6-13H,5H2,1-4H3,(H2,21,22,23,26)/t13-/m1/s1
InChIKeyTZPXHHDDJJMART-CYBMUJFWSA-N
MW372.49 g/mol
LogP4.34
Rot. Bonds6

About N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide

N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide (PubChem CID 40654739) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide
PubChem CID40654739
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide
SMILESCC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C20H24N2O3S/c1-5-13(2)14-9-6-7-10-15(14)21-20(26)22-19(23)18-16(24-3)11-8-12-17(18)25-4/h6-13H,5H2,1-4H3,(H2,21,22,23,26)/t13-/m1/s1
InChIKeyTZPXHHDDJJMART-CYBMUJFWSA-N
XLogP4.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.34
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-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide
CID 959869
N-[(2-butan-2-ylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 17100406
N-[(2-butan-2-ylphenyl)carbamothioyl]acetamide
CID 2937950
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide
CID 823948
N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 918771
N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 954653
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-4-chlorobenzamide
CID 959760
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]butanamide
CID 890021
N-(2-butan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3725070
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2,5-diiodobenzamide
CID 124554564
N-[(2-butan-2-ylphenyl)carbamothioyl]-2-nitrobenzamide
CID 2940125
N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide
CID 11841254

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide (CID 40654739) is N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide is CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1c(OC)cccc1OC.
What is the InChIKey of N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide?
The InChIKey is TZPXHHDDJJMART-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-5-13(2)14-9-6-7-10-15(14)21-20(26)22-19(23)18-16(24-3)11-8-12-17(18)25-4/h6-13H,5H2,1-4H3,(H2,21,22,23,26)/t13-/m1/s1.
What are the key properties of N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide?
N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide has a molecular weight of 372.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 40654739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).