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

C19H22N2O4S — CID 17139837

IUPAC3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide
SMILESCCOCCOc1cccc(C(=O)NC(=S)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-3-24-11-12-25-17-6-4-5-14(13-17)18(22)21-19(26)20-15-7-9-16(23-2)10-8-15/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,22,26)
InChIKeyQZHALEUSDHMNFP-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.24
Rot. Bonds8

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

3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide (PubChem CID 17139837) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide
PubChem CID17139837
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide
SMILESCCOCCOc1cccc(C(=O)NC(=S)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-3-24-11-12-25-17-6-4-5-14(13-17)18(22)21-19(26)20-15-7-9-16(23-2)10-8-15/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,22,26)
InChIKeyQZHALEUSDHMNFP-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

3-(2-ethoxyethoxy)-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17170062
3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide
CID 17230594
N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-ethoxyethoxy)benzamide
CID 17139843
3-butoxy-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17340591
4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 17112903
N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142797
3-(2-ethoxyethoxy)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154941
3-(2-ethoxyethoxy)-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17139925
N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(2-ethoxyethoxy)benzamide
CID 17199402
3-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17219346
N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-3-(2-ethoxyethoxy)benzamide
CID 17160386
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17130787

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide (CID 17139837) is 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide is CCOCCOc1cccc(C(=O)NC(=S)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide?
The InChIKey is QZHALEUSDHMNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-24-11-12-25-17-6-4-5-14(13-17)18(22)21-19(26)20-15-7-9-16(23-2)10-8-15/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,22,26).
What are the key properties of 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide?
3-(2-ethoxyethoxy)-N-[(4-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 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17139837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).