2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C13H13FN2OS2 — CID 43303693

IUPAC2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESNc1ccc(SCC(=O)NCc2cccs2)c(F)c1
InChIInChI=1S/C13H13FN2OS2/c14-11-6-9(15)3-4-12(11)19-8-13(17)16-7-10-2-1-5-18-10/h1-6H,7-8,15H2,(H,16,17)
InChIKeyKMMRJVCJBGPAAE-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.88
Rot. Bonds5

About 2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 43303693) has the molecular formula C13H13FN2OS2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID43303693
Molecular FormulaC13H13FN2OS2
Molecular Weight296.39 g/mol
Exact Mass296.05
IUPAC Name2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESNc1ccc(SCC(=O)NCc2cccs2)c(F)c1
InChIInChI=1S/C13H13FN2OS2/c14-11-6-9(15)3-4-12(11)19-8-13(17)16-7-10-2-1-5-18-10/h1-6H,7-8,15H2,(H,16,17)
InChIKeyKMMRJVCJBGPAAE-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 43303565
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43303659
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 39044875
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 35864916
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 34375365
4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylbenzoic acid
CID 43242269
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
2-(4-amino-2-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43303423
2-(4-amino-2-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43303862
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 102630549
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[2-(4-amino-2-fluorophenyl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide
CID 43303703

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 43303693) is 2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is Nc1ccc(SCC(=O)NCc2cccs2)c(F)c1.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KMMRJVCJBGPAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS2/c14-11-6-9(15)3-4-12(11)19-8-13(17)16-7-10-2-1-5-18-10/h1-6H,7-8,15H2,(H,16,17).
What are the key properties of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 296.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 43303693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).