N-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide

C20H25FN2OS — CID 100599953

IUPACN-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESCCN(CC)c1ccc(CNC(=O)CSCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2OS/c1-3-23(4-2)19-11-7-16(8-12-19)13-22-20(24)15-25-14-17-5-9-18(21)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)
InChIKeyWRUYZEKNQHDOQM-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.22
Rot. Bonds9

About N-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide

N-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 100599953) has the molecular formula C20H25FN2OS and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
PubChem CID100599953
Molecular FormulaC20H25FN2OS
Molecular Weight360.50 g/mol
Exact Mass360.17
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESCCN(CC)c1ccc(CNC(=O)CSCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2OS/c1-3-23(4-2)19-11-7-16(8-12-19)13-22-20(24)15-25-14-17-5-9-18(21)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)
InChIKeyWRUYZEKNQHDOQM-UHFFFAOYSA-N
XLogP4.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 5045191
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
2-[(4-fluorophenyl)methylsulfanyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31591431
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40603897
N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide
CID 99839723
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 92679367
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109835
N-[[4-(dimethylamino)phenyl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53278903
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
N-[[4-(diethylamino)phenyl]methyl]-2-phenylacetamide
CID 99839692
4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107679
1-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-3-[(4-methylphenyl)methyl]thiourea
CID 17373657

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide (CID 100599953) is N-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide is CCN(CC)c1ccc(CNC(=O)CSCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is WRUYZEKNQHDOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2OS/c1-3-23(4-2)19-11-7-16(8-12-19)13-22-20(24)15-25-14-17-5-9-18(21)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,22,24).
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
N-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 360.50 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 100599953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).