N-(dodecylcarbamothioyl)furan-2-carboxamide

C18H30N2O2S — CID 10958704

IUPACN-(dodecylcarbamothioyl)furan-2-carboxamide
SMILESCCCCCCCCCCCCNC(=S)NC(=O)c1ccco1
InChIInChI=1S/C18H30N2O2S/c1-2-3-4-5-6-7-8-9-10-11-14-19-18(23)20-17(21)16-13-12-15-22-16/h12-13,15H,2-11,14H2,1H3,(H2,19,20,21,23)
InChIKeyIQVHOTIIAULJLN-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.80
Rot. Bonds12

About N-(dodecylcarbamothioyl)furan-2-carboxamide

N-(dodecylcarbamothioyl)furan-2-carboxamide (PubChem CID 10958704) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is N-(dodecylcarbamothioyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(dodecylcarbamothioyl)furan-2-carboxamide
PubChem CID10958704
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC NameN-(dodecylcarbamothioyl)furan-2-carboxamide
SMILESCCCCCCCCCCCCNC(=S)NC(=O)c1ccco1
InChIInChI=1S/C18H30N2O2S/c1-2-3-4-5-6-7-8-9-10-11-14-19-18(23)20-17(21)16-13-12-15-22-16/h12-13,15H,2-11,14H2,1H3,(H2,19,20,21,23)
InChIKeyIQVHOTIIAULJLN-UHFFFAOYSA-N
XLogP4.80
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(dodecylcarbamothioyl)furan-2-carboxamide 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

N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide
CID 11732936
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
CID 702076
N-(prop-2-enylcarbamothioyl)furan-2-carboxamide
CID 2294785
N-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide
CID 90109189
N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]furan-2-carboxamide
CID 90112893
N-(hexylcarbamothioyl)thiophene-2-carboxamide
CID 19187816
1-(furan-2-ylmethyl)-3-undecylthiourea
CID 19651324
1-dodecyl-3-(furan-2-ylmethyl)thiourea
CID 19651410
1-butyl-3-(furan-2-carbonylamino)urea
CID 4642065
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-(pentylcarbamothioyl)thiophene-2-carboxamide
CID 19187814

Frequently Asked Questions

What is the IUPAC name of N-(dodecylcarbamothioyl)furan-2-carboxamide?
The IUPAC name of N-(dodecylcarbamothioyl)furan-2-carboxamide (CID 10958704) is N-(dodecylcarbamothioyl)furan-2-carboxamide.
What is the SMILES notation for N-(dodecylcarbamothioyl)furan-2-carboxamide?
The canonical SMILES for N-(dodecylcarbamothioyl)furan-2-carboxamide is CCCCCCCCCCCCNC(=S)NC(=O)c1ccco1.
What is the InChIKey of N-(dodecylcarbamothioyl)furan-2-carboxamide?
The InChIKey is IQVHOTIIAULJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-2-3-4-5-6-7-8-9-10-11-14-19-18(23)20-17(21)16-13-12-15-22-16/h12-13,15H,2-11,14H2,1H3,(H2,19,20,21,23).
What are the key properties of N-(dodecylcarbamothioyl)furan-2-carboxamide?
N-(dodecylcarbamothioyl)furan-2-carboxamide has a molecular weight of 338.52 g/mol, XLogP of 4.80, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dodecylcarbamothioyl)furan-2-carboxamide is sourced from PubChem (CID 10958704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).