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

C16H17N3O3S2 — CID 17100484

IUPAC4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
SMILESCCc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H17N3O3S2/c1-2-11-3-5-12(6-4-11)15(20)19-16(23)18-13-7-9-14(10-8-13)24(17,21)22/h3-10H,2H2,1H3,(H2,17,21,22)(H2,18,19,20,23)
InChIKeyRQYXMLSYMTUAHG-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.02
Rot. Bonds4

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

4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide (PubChem CID 17100484) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
PubChem CID17100484
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
SMILESCCc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H17N3O3S2/c1-2-11-3-5-12(6-4-11)15(20)19-16(23)18-13-7-9-14(10-8-13)24(17,21)22/h3-10H,2H2,1H3,(H2,17,21,22)(H2,18,19,20,23)
InChIKeyRQYXMLSYMTUAHG-UHFFFAOYSA-N
XLogP2.02
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 4627354
4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 4938795
3,4-dimethoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 3384811
4-ethyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 1317508
N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide
CID 17099848
N-[(4-ethylphenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 815863
1-(4-ethylphenyl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiourea
CID 8684466
3-butan-2-yloxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 17149996
4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide
CID 2993529
N-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]-4-ethylbenzamide;hydrochloride
CID 87280606
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
4-chloro-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4932898

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The IUPAC name of 4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide (CID 17100484) is 4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide is CCc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The InChIKey is RQYXMLSYMTUAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-2-11-3-5-12(6-4-11)15(20)19-16(23)18-13-7-9-14(10-8-13)24(17,21)22/h3-10H,2H2,1H3,(H2,17,21,22)(H2,18,19,20,23).
What are the key properties of 4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17100484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).