2-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide

C18H17Cl2FN2O2S — CID 55335653

IUPAC2-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCC(NC(=O)CSCC(=O)Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2FN2O2S/c1-11(12-2-7-15(19)16(20)8-12)22-17(24)9-26-10-18(25)23-14-5-3-13(21)4-6-14/h2-8,11H,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyITQIPZFCGRDXMA-UHFFFAOYSA-N
MW415.32 g/mol
LogP4.68
Rot. Bonds7

About 2-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide

2-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 55335653) has the molecular formula C18H17Cl2FN2O2S and a molecular weight of 415.32 g/mol. Its IUPAC name is 2-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
PubChem CID55335653
Molecular FormulaC18H17Cl2FN2O2S
Molecular Weight415.32 g/mol
Exact Mass414.04
IUPAC Name2-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCC(NC(=O)CSCC(=O)Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2FN2O2S/c1-11(12-2-7-15(19)16(20)8-12)22-17(24)9-26-10-18(25)23-14-5-3-13(21)4-6-14/h2-8,11H,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyITQIPZFCGRDXMA-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 47030874
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
2-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 55336071
2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 993101
2-[2-[1-(2,4-difluorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 51150351
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588581
2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 19729118
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28956969
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 46562996
2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772386
[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791260
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 28569554

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide (CID 55335653) is 2-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide is CC(NC(=O)CSCC(=O)Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide?
The InChIKey is ITQIPZFCGRDXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O2S/c1-11(12-2-7-15(19)16(20)8-12)22-17(24)9-26-10-18(25)23-14-5-3-13(21)4-6-14/h2-8,11H,9-10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide?
2-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 415.32 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 55335653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).