N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide

C19H20N2OS — CID 4922308

IUPACN-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(C=Cc1cccc2ccccc12)NC(=S)NC1CCCC1
InChIInChI=1S/C19H20N2OS/c22-18(21-19(23)20-16-9-2-3-10-16)13-12-15-8-5-7-14-6-1-4-11-17(14)15/h1,4-8,11-13,16H,2-3,9-10H2,(H2,20,21,22,23)
InChIKeySHCUOSPHXCHYEC-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.79
Rot. Bonds3

About N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide

N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide (PubChem CID 4922308) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide
PubChem CID4922308
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC NameN-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(C=Cc1cccc2ccccc12)NC(=S)NC1CCCC1
InChIInChI=1S/C19H20N2OS/c22-18(21-19(23)20-16-9-2-3-10-16)13-12-15-8-5-7-14-6-1-4-11-17(14)15/h1,4-8,11-13,16H,2-3,9-10H2,(H2,20,21,22,23)
InChIKeySHCUOSPHXCHYEC-UHFFFAOYSA-N
XLogP3.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.79
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

(E)-N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide
CID 6231325
N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 3314402
N-cyclohexyl-2-[methyl-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioyl]amino]benzamide
CID 6233422
N-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 4927958
(E)-N-(1-methylsulfonylpiperidin-4-yl)-3-naphthalen-1-ylprop-2-enamide
CID 46566520
N-[(2,3-dimethylphenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 3576339
(E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide
CID 98470580
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
3-naphthalen-1-yl-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide
CID 3514149
N-[[(2-bromobenzoyl)amino]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 4925072
methyl 4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzoate
CID 6122361
(E)-N-[(hexanoylamino)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 6235314

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide (CID 4922308) is N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide is O=C(C=Cc1cccc2ccccc12)NC(=S)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is SHCUOSPHXCHYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c22-18(21-19(23)20-16-9-2-3-10-16)13-12-15-8-5-7-14-6-1-4-11-17(14)15/h1,4-8,11-13,16H,2-3,9-10H2,(H2,20,21,22,23).
What are the key properties of N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide?
N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 324.45 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 4922308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).