4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide

C20H24N2O2S — CID 17141485

IUPAC4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H24N2O2S/c1-5-15(4)24-17-9-7-16(8-10-17)19(23)22-20(25)21-18-11-6-13(2)12-14(18)3/h6-12,15H,5H2,1-4H3,(H2,21,22,23,25)
InChIKeyUFJDUYGZTBFJJP-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.61
Rot. Bonds5

About 4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide

4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide (PubChem CID 17141485) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide
PubChem CID17141485
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H24N2O2S/c1-5-15(4)24-17-9-7-16(8-10-17)19(23)22-20(25)21-18-11-6-13(2)12-14(18)3/h6-12,15H,5H2,1-4H3,(H2,21,22,23,25)
InChIKeyUFJDUYGZTBFJJP-UHFFFAOYSA-N
XLogP4.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.61
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

4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
CID 17141512
N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide
CID 17099918
4-butan-2-yloxy-N-[(2-methyl-5-nitrophenyl)carbamothioyl]benzamide
CID 17141502
4-butan-2-yloxy-N-[(2,5-dichlorophenyl)carbamothioyl]benzamide
CID 17141586
N-[(4-butan-2-yloxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17160769
2-[(4-butan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 2937350
4-[(2R)-butan-2-yl]oxy-N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide
CID 27235798
2-[[4-[(2S)-butan-2-yl]oxybenzoyl]carbamothioylamino]benzoate
CID 7278917
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 7325857
4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
CID 17141486
4-butan-2-yloxy-N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]benzamide
CID 46761650
4-butan-2-yloxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154943

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide?
The IUPAC name of 4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide (CID 17141485) is 4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide is CCC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide?
The InChIKey is UFJDUYGZTBFJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-5-15(4)24-17-9-7-16(8-10-17)19(23)22-20(25)21-18-11-6-13(2)12-14(18)3/h6-12,15H,5H2,1-4H3,(H2,21,22,23,25).
What are the key properties of 4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide?
4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide has a molecular weight of 356.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17141485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).