N-[[4-(diethylamino)phenyl]carbamothioyl]-2-phenylacetamide

C19H23N3OS — CID 885129

IUPACN-[[4-(diethylamino)phenyl]carbamothioyl]-2-phenylacetamide
SMILESCCN(CC)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H23N3OS/c1-3-22(4-2)17-12-10-16(11-13-17)20-19(24)21-18(23)14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3,(H2,20,21,23,24)
InChIKeyPORKINHGDKZPQZ-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.59
Rot. Bonds6

About N-[[4-(diethylamino)phenyl]carbamothioyl]-2-phenylacetamide

N-[[4-(diethylamino)phenyl]carbamothioyl]-2-phenylacetamide (PubChem CID 885129) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]carbamothioyl]-2-phenylacetamide
PubChem CID885129
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-[[4-(diethylamino)phenyl]carbamothioyl]-2-phenylacetamide
SMILESCCN(CC)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H23N3OS/c1-3-22(4-2)17-12-10-16(11-13-17)20-19(24)21-18(23)14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3,(H2,20,21,23,24)
InChIKeyPORKINHGDKZPQZ-UHFFFAOYSA-N
XLogP3.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N'-Phenyl-N-benzoylthiourea
CID 728148
N,N'-((4-(dimethylamino)phenyl)methylene)bis(2-phenylacetamide)
CID 4296438
Tenovin-1
CID 1013376
N-(((4-Methylphenyl)amino)thioxomethyl)benzamide
CID 2787704
N-(((2-Methylphenyl)amino)thioxomethyl)benzamide
CID 693365
N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 766939
Tenovin-6
CID 24772043
4-methyl-N-[(2-methylphenyl)carbamothioyl]benzamide
CID 801912
N-[(4-phenylpiperazin-1-yl)carbonothioyl]benzamide
CID 886842
3-Phenyl-5-(phenylmethyl)-2-thioxo-4-imidazolidinone
CID 2871911
N-[(2,3-dimethylphenyl)carbamothioyl]-3-phenylpropanamide
CID 3606489
N-((4-(Dimethylamino)phenyl)carbamothioyl)benzenecarboximidic acid
CID 766937

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]carbamothioyl]-2-phenylacetamide (CID 885129) is N-[[4-(diethylamino)phenyl]carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]carbamothioyl]-2-phenylacetamide is CCN(CC)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]carbamothioyl]-2-phenylacetamide?
The InChIKey is PORKINHGDKZPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-3-22(4-2)17-12-10-16(11-13-17)20-19(24)21-18(23)14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3,(H2,20,21,23,24).
What are the key properties of N-[[4-(diethylamino)phenyl]carbamothioyl]-2-phenylacetamide?
N-[[4-(diethylamino)phenyl]carbamothioyl]-2-phenylacetamide has a molecular weight of 341.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]carbamothioyl]-2-phenylacetamide is sourced from PubChem (CID 885129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).