N-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide

C20H18N2OS — CID 3251820

IUPACN-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide
SMILESCCC(=O)NC(=S)N(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H18N2OS/c1-2-19(23)21-20(24)22(17-10-4-3-5-11-17)18-13-12-15-8-6-7-9-16(15)14-18/h3-14H,2H2,1H3,(H,21,23,24)
InChIKeyYKWFWBHKZQLRNV-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.79
Rot. Bonds3

About N-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide

N-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide (PubChem CID 3251820) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide.

Molecular Properties

Compound NameN-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide
PubChem CID3251820
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC NameN-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide
SMILESCCC(=O)NC(=S)N(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H18N2OS/c1-2-19(23)21-20(24)22(17-10-4-3-5-11-17)18-13-12-15-8-6-7-9-16(15)14-18/h3-14H,2H2,1H3,(H,21,23,24)
InChIKeyYKWFWBHKZQLRNV-UHFFFAOYSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide?
The IUPAC name of N-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide (CID 3251820) is N-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide.
What is the SMILES notation for N-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide?
The canonical SMILES for N-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide is CCC(=O)NC(=S)N(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide?
The InChIKey is YKWFWBHKZQLRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-2-19(23)21-20(24)22(17-10-4-3-5-11-17)18-13-12-15-8-6-7-9-16(15)14-18/h3-14H,2H2,1H3,(H,21,23,24).
What are the key properties of N-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide?
N-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide has a molecular weight of 334.44 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide is sourced from PubChem (CID 3251820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).