2-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide

C18H21N3O5S2 — CID 17122956

IUPAC2-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
SMILESCCOCCOc1ccccc1C(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21N3O5S2/c1-2-25-11-12-26-16-6-4-3-5-15(16)17(22)21-18(27)20-13-7-9-14(10-8-13)28(19,23)24/h3-10H,2,11-12H2,1H3,(H2,19,23,24)(H2,20,21,22,27)
InChIKeyWLQITIYIKFCZEH-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.88
Rot. Bonds8

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

2-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide (PubChem CID 17122956) has the molecular formula C18H21N3O5S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
PubChem CID17122956
Molecular FormulaC18H21N3O5S2
Molecular Weight423.52 g/mol
Exact Mass423.09
IUPAC Name2-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
SMILESCCOCCOc1ccccc1C(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21N3O5S2/c1-2-25-11-12-26-16-6-4-3-5-15(16)17(22)21-18(27)20-13-7-9-14(10-8-13)28(19,23)24/h3-10H,2,11-12H2,1H3,(H2,19,23,24)(H2,20,21,22,27)
InChIKeyWLQITIYIKFCZEH-UHFFFAOYSA-N
XLogP1.88
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-(2-ethoxyethoxy)-N-(4-sulfamoylphenyl)benzamide
CID 17122684
2-(2-ethoxyethoxy)-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123092
2-(2-ethoxyethoxy)-N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17123024
2-(2-ethoxyethoxy)-N-[(4-nitrophenyl)carbamothioyl]benzamide
CID 17122993
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17130749
2-(2-ethoxyethoxy)-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 54783045
N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17122995
N-[(4-bromophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355891
N-[(2-bromophenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17123016
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355986
2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123746
2-(2-ethoxyethoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 26168152

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide (CID 17122956) is 2-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide is CCOCCOc1ccccc1C(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The InChIKey is WLQITIYIKFCZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S2/c1-2-25-11-12-26-16-6-4-3-5-15(16)17(22)21-18(27)20-13-7-9-14(10-8-13)28(19,23)24/h3-10H,2,11-12H2,1H3,(H2,19,23,24)(H2,20,21,22,27).
What are the key properties of 2-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
2-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide has a molecular weight of 423.52 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17122956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).