N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide

C15H15FN2O2S — CID 63359642

IUPACN-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide
SMILESNC(=S)c1ccc(CNC(=O)CCc2ccco2)c(F)c1
InChIInChI=1S/C15H15FN2O2S/c16-13-8-10(15(17)21)3-4-11(13)9-18-14(19)6-5-12-2-1-7-20-12/h1-4,7-8H,5-6,9H2,(H2,17,21)(H,18,19)
InChIKeySLRKKJAUXJYFNT-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.30
Rot. Bonds6

About N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide

N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide (PubChem CID 63359642) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide
PubChem CID63359642
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide
SMILESNC(=S)c1ccc(CNC(=O)CCc2ccco2)c(F)c1
InChIInChI=1S/C15H15FN2O2S/c16-13-8-10(15(17)21)3-4-11(13)9-18-14(19)6-5-12-2-1-7-20-12/h1-4,7-8H,5-6,9H2,(H2,17,21)(H,18,19)
InChIKeySLRKKJAUXJYFNT-UHFFFAOYSA-N
XLogP2.30
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide
CID 55156972
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702
N-[(4-carbamothioyl-2-fluorophenyl)methyl]-4-chlorobenzamide
CID 63359465
N-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide
CID 63359331
N-(3-carbamothioylphenyl)-3-(furan-2-yl)-N-methylpropanamide
CID 62971167
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
N-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide
CID 110616052
4-carbamothioyl-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62063820
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(furan-2-yl)propanamide
CID 104702793
N-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide
CID 63359290
3-(furan-2-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110413242

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide (CID 63359642) is N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide is NC(=S)c1ccc(CNC(=O)CCc2ccco2)c(F)c1.
What is the InChIKey of N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide?
The InChIKey is SLRKKJAUXJYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-13-8-10(15(17)21)3-4-11(13)9-18-14(19)6-5-12-2-1-7-20-12/h1-4,7-8H,5-6,9H2,(H2,17,21)(H,18,19).
What are the key properties of N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide?
N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide has a molecular weight of 306.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 63359642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).