N-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide

C20H15FN2OS — CID 4927958

IUPACN-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(C=Cc1cccc2ccccc12)NC(=S)Nc1ccccc1F
InChIInChI=1S/C20H15FN2OS/c21-17-10-3-4-11-18(17)22-20(25)23-19(24)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H,(H2,22,23,24,25)
InChIKeyKMLQXQKEUSUUAY-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.51
Rot. Bonds3

About N-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide

N-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 4927958) has the molecular formula C20H15FN2OS and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID4927958
Molecular FormulaC20H15FN2OS
Molecular Weight350.42 g/mol
Exact Mass350.09
IUPAC NameN-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(C=Cc1cccc2ccccc12)NC(=S)Nc1ccccc1F
InChIInChI=1S/C20H15FN2OS/c21-17-10-3-4-11-18(17)22-20(25)23-19(24)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H,(H2,22,23,24,25)
InChIKeyKMLQXQKEUSUUAY-UHFFFAOYSA-N
XLogP4.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-dimethylphenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 3576339
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N-phenylbenzamide
CID 6122169
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N-propan-2-ylbenzamide
CID 6234982
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
N-benzyl-N-methyl-2-(3-naphthalen-1-ylprop-2-enoylcarbamothioylamino)benzamide
CID 4937556
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide
CID 6234194
methyl 4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzoate
CID 6122361
(E)-N-[(2-bromo-4-nitrophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 6235002
(E)-N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide
CID 6231325
N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide
CID 4922308
(E)-N-[(2-fluorophenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17187202
ethyl 4-[(2-fluorophenyl)carbamothioylamino]-4-oxobut-2-enoate
CID 4928000

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of N-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide (CID 4927958) is N-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for N-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for N-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide is O=C(C=Cc1cccc2ccccc12)NC(=S)Nc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is KMLQXQKEUSUUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2OS/c21-17-10-3-4-11-18(17)22-20(25)23-19(24)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H,(H2,22,23,24,25).
What are the key properties of N-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide?
N-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 350.42 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 4927958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).