4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide

C17H19N3O4S2 — CID 4938795

IUPAC4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
SMILESCCCOc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H19N3O4S2/c1-2-11-24-14-7-3-12(4-8-14)16(21)20-17(25)19-13-5-9-15(10-6-13)26(18,22)23/h3-10H,2,11H2,1H3,(H2,18,22,23)(H2,19,20,21,25)
InChIKeyRWPQIGCEXVIMTK-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.25
Rot. Bonds6

About 4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide

4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide (PubChem CID 4938795) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
PubChem CID4938795
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC Name4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
SMILESCCCOc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H19N3O4S2/c1-2-11-24-14-7-3-12(4-8-14)16(21)20-17(25)19-13-5-9-15(10-6-13)26(18,22)23/h3-10H,2,11H2,1H3,(H2,18,22,23)(H2,19,20,21,25)
InChIKeyRWPQIGCEXVIMTK-UHFFFAOYSA-N
XLogP2.25
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)carbamothioyl]-4-propoxybenzamide
CID 2283977
N-ethyl-4-[(4-propoxybenzoyl)carbamothioylamino]benzamide
CID 17234514
4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 17100484
N-[(4-heptoxyphenyl)carbamothioyl]-4-hexoxybenzamide
CID 4951656
4-[(4-butoxybenzoyl)carbamothioylamino]-N-methylbenzamide
CID 28642930
4-butoxy-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4936615
4-heptoxy-N-(4-sulfamoylphenyl)benzamide
CID 4950602
N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-4-butoxybenzamide
CID 17160335
N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17353780
4-[(4-hexoxybenzoyl)carbamothioylamino]benzamide
CID 4933896
N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-hexoxybenzamide
CID 4934033
4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 4627354

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The IUPAC name of 4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide (CID 4938795) is 4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide is CCCOc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The InChIKey is RWPQIGCEXVIMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-2-11-24-14-7-3-12(4-8-14)16(21)20-17(25)19-13-5-9-15(10-6-13)26(18,22)23/h3-10H,2,11H2,1H3,(H2,18,22,23)(H2,19,20,21,25).
What are the key properties of 4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 4938795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).