4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide

C19H22N2O4S — CID 17112903

IUPAC4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide
SMILESCCOCCOc1ccc(C(=O)NC(=S)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C19H22N2O4S/c1-3-24-11-12-25-16-9-7-14(8-10-16)18(22)21-19(26)20-15-5-4-6-17(13-15)23-2/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,22,26)
InChIKeyOLDQCJAJDGXQHO-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.24
Rot. Bonds8

About 4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide

4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide (PubChem CID 17112903) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide
PubChem CID17112903
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide
SMILESCCOCCOc1ccc(C(=O)NC(=S)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C19H22N2O4S/c1-3-24-11-12-25-16-9-7-14(8-10-16)18(22)21-19(26)20-15-5-4-6-17(13-15)23-2/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,22,26)
InChIKeyOLDQCJAJDGXQHO-UHFFFAOYSA-N
XLogP3.24
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromophenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17252493
N-[(3-benzamidophenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17235202
4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide
CID 17112844
3-(2-ethoxyethoxy)-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17170062
4-(2-ethoxyethoxy)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 17197853
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17130787
3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide
CID 17139837
N-[(3-methoxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4949028
3-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17219341
4-(2-phenoxyethoxy)-N-[(3-propoxyphenyl)carbamothioyl]benzamide
CID 17097060
N-[(3-butoxyphenyl)carbamothioyl]-4-ethoxybenzamide
CID 17095199
N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 46762223

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide (CID 17112903) is 4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide is CCOCCOc1ccc(C(=O)NC(=S)Nc2cccc(OC)c2)cc1.
What is the InChIKey of 4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide?
The InChIKey is OLDQCJAJDGXQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-24-11-12-25-16-9-7-14(8-10-16)18(22)21-19(26)20-15-5-4-6-17(13-15)23-2/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,22,26).
What are the key properties of 4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide?
4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide has a molecular weight of 374.46 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17112903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).