2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide

C18H21FN2OS2 — CID 8558876

IUPAC2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CCSc1ccc(F)cc1
InChIInChI=1S/C18H21FN2OS2/c1-21(11-12-24-15-9-7-14(19)8-10-15)13-18(22)20-16-5-3-4-6-17(16)23-2/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyBRTOPWRAIZVNJX-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.21
Rot. Bonds8

About 2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide

2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 8558876) has the molecular formula C18H21FN2OS2 and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID8558876
Molecular FormulaC18H21FN2OS2
Molecular Weight364.51 g/mol
Exact Mass364.11
IUPAC Name2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CCSc1ccc(F)cc1
InChIInChI=1S/C18H21FN2OS2/c1-21(11-12-24-15-9-7-14(19)8-10-15)13-18(22)20-16-5-3-4-6-17(16)23-2/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyBRTOPWRAIZVNJX-UHFFFAOYSA-N
XLogP4.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8709895
N-(2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide;oxalic acid
CID 15945240
2-[methyl(2-methylsulfonylethyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 47104704
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
3-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
CID 24589134
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
2-[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197603
(E)-3-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide
CID 51144379
2-[cyanomethyl(methyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 38214269
2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 8814616
2-[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9105247
3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 31891666

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide (CID 8558876) is 2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)CCSc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is BRTOPWRAIZVNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS2/c1-21(11-12-24-15-9-7-14(19)8-10-15)13-18(22)20-16-5-3-4-6-17(16)23-2/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 364.51 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 8558876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).