2-methoxy-N-[3-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]phenyl]acetamide

C13H16F3N3O3S — CID 51118680

IUPAC2-methoxy-N-[3-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NC(=O)NCCSC(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O3S/c1-22-8-11(20)18-9-3-2-4-10(7-9)19-12(21)17-5-6-23-13(14,15)16/h2-4,7H,5-6,8H2,1H3,(H,18,20)(H2,17,19,21)
InChIKeyIMOXFJUGULSCAI-UHFFFAOYSA-N
MW351.35 g/mol
LogP2.65
Rot. Bonds7

About 2-methoxy-N-[3-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]phenyl]acetamide

2-methoxy-N-[3-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]phenyl]acetamide (PubChem CID 51118680) has the molecular formula C13H16F3N3O3S and a molecular weight of 351.35 g/mol. Its IUPAC name is 2-methoxy-N-[3-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]phenyl]acetamide
PubChem CID51118680
Molecular FormulaC13H16F3N3O3S
Molecular Weight351.35 g/mol
Exact Mass351.09
IUPAC Name2-methoxy-N-[3-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NC(=O)NCCSC(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O3S/c1-22-8-11(20)18-9-3-2-4-10(7-9)19-12(21)17-5-6-23-13(14,15)16/h2-4,7H,5-6,8H2,1H3,(H,18,20)(H2,17,19,21)
InChIKeyIMOXFJUGULSCAI-UHFFFAOYSA-N
XLogP2.65
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
2-methoxy-N-[3-[(2-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
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N-(3-tert-butylphenyl)-2-methoxyacetamide
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2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide
CID 72858036
2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide
CID 118763767
1-(2-tert-butylsulfanylethyl)-3-(3-chlorophenyl)urea
CID 3884756
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
2-(ethylamino)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylpropanamide
CID 62833409
N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide
CID 81410812
2-methoxy-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60719081
5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107908815
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]phenyl]acetamide (CID 51118680) is 2-methoxy-N-[3-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]phenyl]acetamide is COCC(=O)Nc1cccc(NC(=O)NCCSC(F)(F)F)c1.
What is the InChIKey of 2-methoxy-N-[3-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]phenyl]acetamide?
The InChIKey is IMOXFJUGULSCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3S/c1-22-8-11(20)18-9-3-2-4-10(7-9)19-12(21)17-5-6-23-13(14,15)16/h2-4,7H,5-6,8H2,1H3,(H,18,20)(H2,17,19,21).
What are the key properties of 2-methoxy-N-[3-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]phenyl]acetamide?
2-methoxy-N-[3-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]phenyl]acetamide has a molecular weight of 351.35 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 51118680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).