N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide

C18H20N2O3S — CID 7325857

IUPACN-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
SMILESCc1ccc(O)c(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C18H20N2O3S/c1-11(2)23-14-7-5-13(6-8-14)17(22)20-18(24)19-15-10-12(3)4-9-16(15)21/h4-11,21H,1-3H3,(H2,19,20,22,24)
InChIKeyNCYNBRWLZCOMMQ-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.61
Rot. Bonds4

About N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide

N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide (PubChem CID 7325857) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
PubChem CID7325857
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
SMILESCc1ccc(O)c(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C18H20N2O3S/c1-11(2)23-14-7-5-13(6-8-14)17(22)20-18(24)19-15-10-12(3)4-9-16(15)21/h4-11,21H,1-3H3,(H2,19,20,22,24)
InChIKeyNCYNBRWLZCOMMQ-UHFFFAOYSA-N
XLogP3.61
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 823882
N-(2-hydroxy-4-methylphenyl)-4-propan-2-yloxybenzamide
CID 27681755
N-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 1339065
4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide
CID 17141485
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-3-iodo-4-methylbenzamide
CID 5121233
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 5172592
N-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 823867
2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid
CID 1327370
N-[(2-methyl-4-nitrophenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 2898707
N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 23741480
N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 2905077
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 135773271

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide (CID 7325857) is N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide is Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1.
What is the InChIKey of N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
The InChIKey is NCYNBRWLZCOMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-11(2)23-14-7-5-13(6-8-14)17(22)20-18(24)19-15-10-12(3)4-9-16(15)21/h4-11,21H,1-3H3,(H2,19,20,22,24).
What are the key properties of N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide has a molecular weight of 344.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 7325857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).