1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea

C17H20N4O3S2 — CID 35785840

IUPAC1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea
SMILESCCNS(=O)(=O)c1ccc(C(=O)NNC(=S)NCc2ccccc2)cc1
InChIInChI=1S/C17H20N4O3S2/c1-2-19-26(23,24)15-10-8-14(9-11-15)16(22)20-21-17(25)18-12-13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3,(H,20,22)(H2,18,21,25)
InChIKeyUQFBJLHNWMROAD-UHFFFAOYSA-N
MW392.51 g/mol
LogP1.29
Rot. Bonds6

About 1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea

1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea (PubChem CID 35785840) has the molecular formula C17H20N4O3S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea.

Molecular Properties

Compound Name1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea
PubChem CID35785840
Molecular FormulaC17H20N4O3S2
Molecular Weight392.51 g/mol
Exact Mass392.10
IUPAC Name1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea
SMILESCCNS(=O)(=O)c1ccc(C(=O)NNC(=S)NCc2ccccc2)cc1
InChIInChI=1S/C17H20N4O3S2/c1-2-19-26(23,24)15-10-8-14(9-11-15)16(22)20-21-17(25)18-12-13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3,(H,20,22)(H2,18,21,25)
InChIKeyUQFBJLHNWMROAD-UHFFFAOYSA-N
XLogP1.29
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
1-[3-(benzenesulfonamido)propanoylamino]-3-benzylthiourea
CID 18285302
4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479173
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9477966
N-[(benzylcarbamothioylamino)carbamothioyl]-4-methylbenzamide
CID 2467344
2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid
CID 16768249
N-[4-(ethylsulfamoyl)phenyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119617
1-[(4-methoxyphenyl)methyl]-3-[(4-phenylmethoxybenzoyl)amino]thiourea
CID 9478975
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
N-[(benzylcarbamothioylamino)carbamothioyl]-4-fluorobenzamide
CID 142756981

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea?
The IUPAC name of 1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea (CID 35785840) is 1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea.
What is the SMILES notation for 1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea?
The canonical SMILES for 1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea is CCNS(=O)(=O)c1ccc(C(=O)NNC(=S)NCc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea?
The InChIKey is UQFBJLHNWMROAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S2/c1-2-19-26(23,24)15-10-8-14(9-11-15)16(22)20-21-17(25)18-12-13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3,(H,20,22)(H2,18,21,25).
What are the key properties of 1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea?
1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea has a molecular weight of 392.51 g/mol, XLogP of 1.29, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea is sourced from PubChem (CID 35785840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).