N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide

C19H23N3O4S2 — CID 17171044

IUPACN-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide
SMILESO=C(NC(=S)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)C1CCCCC1
InChIInChI=1S/C19H23N3O4S2/c23-18(14-5-2-1-3-6-14)22-19(27)21-15-8-10-17(11-9-15)28(24,25)20-13-16-7-4-12-26-16/h4,7-12,14,20H,1-3,5-6,13H2,(H2,21,22,23,27)
InChIKeyVCFXCUXFPRKVLM-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.15
Rot. Bonds6

About N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide

N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide (PubChem CID 17171044) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide
PubChem CID17171044
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC NameN-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide
SMILESO=C(NC(=S)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)C1CCCCC1
InChIInChI=1S/C19H23N3O4S2/c23-18(14-5-2-1-3-6-14)22-19(27)21-15-8-10-17(11-9-15)28(24,25)20-13-16-7-4-12-26-16/h4,7-12,14,20H,1-3,5-6,13H2,(H2,21,22,23,27)
InChIKeyVCFXCUXFPRKVLM-UHFFFAOYSA-N
XLogP3.15
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.15
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

[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 169358880
4-fluoro-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17171054
N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17171029
N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide
CID 17161282
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
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-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide
CID 1243044
(E)-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17187325
N-[4-(benzylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 2987452
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 35334881

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide?
The IUPAC name of N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide (CID 17171044) is N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide is O=C(NC(=S)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)C1CCCCC1.
What is the InChIKey of N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide?
The InChIKey is VCFXCUXFPRKVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c23-18(14-5-2-1-3-6-14)22-19(27)21-15-8-10-17(11-9-15)28(24,25)20-13-16-7-4-12-26-16/h4,7-12,14,20H,1-3,5-6,13H2,(H2,21,22,23,27).
What are the key properties of N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide?
N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide is sourced from PubChem (CID 17171044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).