4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide

C17H17N3O4S — CID 172645991

IUPAC4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide
SMILESCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C17H17N3O4S/c1-2-24-14-9-5-11(6-10-14)15(21)19-17(25)18-13-7-3-12(4-8-13)16(22)20-23/h3-10,23H,2H2,1H3,(H,20,22)(H2,18,19,21,25)
InChIKeyBKZVAACWSKDHFJ-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.33
Rot. Bonds5

About 4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide

4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide (PubChem CID 172645991) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide
PubChem CID172645991
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide
SMILESCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C17H17N3O4S/c1-2-24-14-9-5-11(6-10-14)15(21)19-17(25)18-13-7-3-12(4-8-13)16(22)20-23/h3-10,23H,2H2,1H3,(H,20,22)(H2,18,19,21,25)
InChIKeyBKZVAACWSKDHFJ-UHFFFAOYSA-N
XLogP2.33
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
CID 4948819
N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 4060456
4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
CID 17141486
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17130787
N-[(4-heptoxyphenyl)carbamothioyl]-4-hexoxybenzamide
CID 4951656
4-[(4-butoxybenzoyl)carbamothioylamino]-N-methylbenzamide
CID 28642930
N-[(4-methoxyphenyl)carbamothioyl]-4-propoxybenzamide
CID 2283977
1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea
CID 5174149
3-chloro-N-[4-[(4-ethoxybenzoyl)carbamothioylamino]phenyl]benzamide
CID 4629279
ethyl 4-[[4-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzoate
CID 17353721
N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17353780
N-[(4-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 881380

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide?
The IUPAC name of 4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide (CID 172645991) is 4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide?
The canonical SMILES for 4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide is CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)NO)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide?
The InChIKey is BKZVAACWSKDHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-2-24-14-9-5-11(6-10-14)15(21)19-17(25)18-13-7-3-12(4-8-13)16(22)20-23/h3-10,23H,2H2,1H3,(H,20,22)(H2,18,19,21,25).
What are the key properties of 4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide?
4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide has a molecular weight of 359.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide is sourced from PubChem (CID 172645991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).