N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide

C16H15FN2OS — CID 62303729

IUPACN-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide
SMILESNC(=S)Cc1ccc(NC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C16H15FN2OS/c17-13-3-1-2-12(8-13)10-16(20)19-14-6-4-11(5-7-14)9-15(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20)
InChIKeyBOCMAMTYFHQLFY-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.84
Rot. Bonds5

About N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide

N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide (PubChem CID 62303729) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide
PubChem CID62303729
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC NameN-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide
SMILESNC(=S)Cc1ccc(NC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C16H15FN2OS/c17-13-3-1-2-12(8-13)10-16(20)19-14-6-4-11(5-7-14)9-15(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20)
InChIKeyBOCMAMTYFHQLFY-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.84
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

4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid
CID 18070264
N-(4-acetylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023465
4-(2-amino-2-sulfanylideneethyl)-N-(3-fluorophenyl)benzamide
CID 82179496
N-(3-amino-4-ethylphenyl)-2-(3-fluorophenyl)acetamide
CID 43550262
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide
CID 112980257
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3,3,3-trifluoropropanamide
CID 62303741
2-(3-fluorophenyl)-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 112987540
N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide
CID 112990067
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 62092603
2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 16552460
N-(2-amino-2-oxoethoxy)-2-(3-fluorophenyl)acetamide
CID 112551000

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide (CID 62303729) is N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide is NC(=S)Cc1ccc(NC(=O)Cc2cccc(F)c2)cc1.
What is the InChIKey of N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is BOCMAMTYFHQLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c17-13-3-1-2-12(8-13)10-16(20)19-14-6-4-11(5-7-14)9-15(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20).
What are the key properties of N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide?
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 62303729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).