N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide

C18H20N2O4S — CID 17100277

IUPACN-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC(=S)Nc2cc(OC)ccc2O)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-10-24-13-6-4-12(5-7-13)17(22)20-18(25)19-15-11-14(23-2)8-9-16(15)21/h4-9,11,21H,3,10H2,1-2H3,(H2,19,20,22,25)
InChIKeyHSKKFLJWJBQZAW-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.32
Rot. Bonds6

About N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide

N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide (PubChem CID 17100277) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide
PubChem CID17100277
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC(=S)Nc2cc(OC)ccc2O)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-10-24-13-6-4-12(5-7-13)17(22)20-18(25)19-15-11-14(23-2)8-9-16(15)21/h4-9,11,21H,3,10H2,1-2H3,(H2,19,20,22,25)
InChIKeyHSKKFLJWJBQZAW-UHFFFAOYSA-N
XLogP3.32
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-methoxyphenyl)carbamothioyl]-4-propoxybenzamide
CID 2283977
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17112879
N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 2905077
N-(methylcarbamothioyl)-4-propoxybenzamide
CID 3665751
2-[(4-propoxybenzoyl)carbamothioylamino]benzoate
CID 2294416
5-bromo-2-[(4-propoxybenzoyl)carbamothioylamino]benzoic acid
CID 4513562
N-ethyl-4-[(4-propoxybenzoyl)carbamothioylamino]benzamide
CID 17234514
N-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide
CID 2289109
N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 4317523
4-(2-phenoxyethoxy)-N-[(3-propoxyphenyl)carbamothioyl]benzamide
CID 17097060
4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 4938795
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937376

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide?
The IUPAC name of N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide (CID 17100277) is N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide.
What is the SMILES notation for N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide?
The canonical SMILES for N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NC(=S)Nc2cc(OC)ccc2O)cc1.
What is the InChIKey of N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide?
The InChIKey is HSKKFLJWJBQZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-10-24-13-6-4-12(5-7-13)17(22)20-18(25)19-15-11-14(23-2)8-9-16(15)21/h4-9,11,21H,3,10H2,1-2H3,(H2,19,20,22,25).
What are the key properties of N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide?
N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide has a molecular weight of 360.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide is sourced from PubChem (CID 17100277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).