3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide

C17H18N2OS — CID 62876522

IUPAC3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESCCc1cccc(NC(=O)C(C(N)=S)c2ccccc2)c1
InChIInChI=1S/C17H18N2OS/c1-2-12-7-6-10-14(11-12)19-17(20)15(16(18)21)13-8-4-3-5-9-13/h3-11,15H,2H2,1H3,(H2,18,21)(H,19,20)
InChIKeyCAWFJGLDXPPMNU-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.26
Rot. Bonds5

About 3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide

3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide (PubChem CID 62876522) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide
PubChem CID62876522
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESCCc1cccc(NC(=O)C(C(N)=S)c2ccccc2)c1
InChIInChI=1S/C17H18N2OS/c1-2-12-7-6-10-14(11-12)19-17(20)15(16(18)21)13-8-4-3-5-9-13/h3-11,15H,2H2,1H3,(H2,18,21)(H,19,20)
InChIKeyCAWFJGLDXPPMNU-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546422
N-(3-ethylphenyl)-2-phenylbutanamide
CID 2931545
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
2-amino-N-(3-ethylphenyl)butanediamide
CID 54928255
3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 119763802
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
2-chloro-N-(3-ethylphenyl)butanamide
CID 20553592
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
3-amino-N-butyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876860
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152
3-amino-N-[(3-bromophenyl)methyl]-2-phenyl-3-sulfanylidenepropanamide
CID 62877573
ethyl 3-anilino-3-oxo-2-phenylpropanoate
CID 10062364

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide (CID 62876522) is 3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide is CCc1cccc(NC(=O)C(C(N)=S)c2ccccc2)c1.
What is the InChIKey of 3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide?
The InChIKey is CAWFJGLDXPPMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-2-12-7-6-10-14(11-12)19-17(20)15(16(18)21)13-8-4-3-5-9-13/h3-11,15H,2H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide?
3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide has a molecular weight of 298.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 62876522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).