[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea

C12H13N3O3S2 — CID 169358880

IUPAC[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
SMILESNC(=S)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C12H13N3O3S2/c13-12(19)15-9-3-5-11(6-4-9)20(16,17)14-8-10-2-1-7-18-10/h1-7,14H,8H2,(H3,13,15,19)
InChIKeyFQJZSBAAFIURJV-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.41
Rot. Bonds5

About [4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea

[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea (PubChem CID 169358880) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is [4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea.

Molecular Properties

Compound Name[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
PubChem CID169358880
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC Name[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
SMILESNC(=S)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C12H13N3O3S2/c13-12(19)15-9-3-5-11(6-4-9)20(16,17)14-8-10-2-1-7-18-10/h1-7,14H,8H2,(H3,13,15,19)
InChIKeyFQJZSBAAFIURJV-UHFFFAOYSA-N
XLogP1.41
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(furan-2-ylmethylsulfamoyl)phenyl]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

1-(3,5-dimethylphenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 25039568
1-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea
CID 25035237
4-fluoro-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17171054
N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide
CID 17171044
N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17171029
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 17171037
(E)-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 17171135
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-phenoxyacetamide
CID 652012
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]octanamide
CID 17147535
(E)-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17187325
5-(furan-2-ylmethylsulfamoyl)-2-methoxybenzamide
CID 34027934

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea?
The IUPAC name of [4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea (CID 169358880) is [4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea.
What is the SMILES notation for [4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea?
The canonical SMILES for [4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea is NC(=S)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of [4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea?
The InChIKey is FQJZSBAAFIURJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c13-12(19)15-9-3-5-11(6-4-9)20(16,17)14-8-10-2-1-7-18-10/h1-7,14H,8H2,(H3,13,15,19).
What are the key properties of [4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea?
[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea has a molecular weight of 311.39 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea is sourced from PubChem (CID 169358880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).