N-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide

C19H22N2O2S — CID 823867

IUPACN-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
SMILESCc1cccc(C)c1NC(=S)NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H22N2O2S/c1-12(2)23-16-10-8-15(9-11-16)18(22)21-19(24)20-17-13(3)6-5-7-14(17)4/h5-12H,1-4H3,(H2,20,21,22,24)
InChIKeyRLFBOLRDTDPNOJ-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.22
Rot. Bonds4

About N-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide

N-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide (PubChem CID 823867) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
PubChem CID823867
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
SMILESCc1cccc(C)c1NC(=S)NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H22N2O2S/c1-12(2)23-16-10-8-15(9-11-16)18(22)21-19(24)20-17-13(3)6-5-7-14(17)4/h5-12H,1-4H3,(H2,20,21,22,24)
InChIKeyRLFBOLRDTDPNOJ-UHFFFAOYSA-N
XLogP4.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.22
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-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 823882
3,5-dichloro-4-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid
CID 50849870
N-[(2-methylquinolin-5-yl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17313819
4-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 4952176
2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid
CID 1327370
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 7325857
4-butan-2-yloxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154943
N-[(4-butan-2-yloxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17160769
3-methyl-N-[4-[[(4-propan-2-yloxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide
CID 4952353
N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 46762190
N-[(2-methyl-4-nitrophenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 2898707
N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17235868

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide (CID 823867) is N-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide is Cc1cccc(C)c1NC(=S)NC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
The InChIKey is RLFBOLRDTDPNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-12(2)23-16-10-8-15(9-11-16)18(22)21-19(24)20-17-13(3)6-5-7-14(17)4/h5-12H,1-4H3,(H2,20,21,22,24).
What are the key properties of N-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
N-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide has a molecular weight of 342.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 823867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).