1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea

C15H17N3O2S2 — CID 19680507

IUPAC1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea
SMILESCCNS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C15H17N3O2S2/c1-2-16-22(19,20)14-10-8-13(9-11-14)18-15(21)17-12-6-4-3-5-7-12/h3-11,16H,2H2,1H3,(H2,17,18,21)
InChIKeyLXMTYVYGLBUAIF-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.79
Rot. Bonds5

About 1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea

1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea (PubChem CID 19680507) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea
PubChem CID19680507
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC Name1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea
SMILESCCNS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C15H17N3O2S2/c1-2-16-22(19,20)14-10-8-13(9-11-14)18-15(21)17-12-6-4-3-5-7-12/h3-11,16H,2H2,1H3,(H2,17,18,21)
InChIKeyLXMTYVYGLBUAIF-UHFFFAOYSA-N
XLogP2.79
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(benzylsulfamoyl)phenyl]-3-phenylthiourea
CID 4928890
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea
CID 19680552
1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea
CID 19680553
1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea
CID 19680524
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
1-(4-ethylphenyl)sulfonyl-3-phenylthiourea
CID 955775
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide
CID 17310169
4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid
CID 60941281
[(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7828103
N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 4929109

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea?
The IUPAC name of 1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea (CID 19680507) is 1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea.
What is the SMILES notation for 1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea?
The canonical SMILES for 1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea is CCNS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1.
What is the InChIKey of 1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea?
The InChIKey is LXMTYVYGLBUAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c1-2-16-22(19,20)14-10-8-13(9-11-14)18-15(21)17-12-6-4-3-5-7-12/h3-11,16H,2H2,1H3,(H2,17,18,21).
What are the key properties of 1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea?
1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea has a molecular weight of 335.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea is sourced from PubChem (CID 19680507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).