N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide

C18H20F2N2O3S — CID 87029705

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide
SMILESCOCCOc1cccc(NCC(=O)Nc2ccccc2SC(F)F)c1
InChIInChI=1S/C18H20F2N2O3S/c1-24-9-10-25-14-6-4-5-13(11-14)21-12-17(23)22-15-7-2-3-8-16(15)26-18(19)20/h2-8,11,18,21H,9-10,12H2,1H3,(H,22,23)
InChIKeyKVVCWRDQPVDKDW-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.08
Rot. Bonds10

About N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide (PubChem CID 87029705) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide
PubChem CID87029705
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide
SMILESCOCCOc1cccc(NCC(=O)Nc2ccccc2SC(F)F)c1
InChIInChI=1S/C18H20F2N2O3S/c1-24-9-10-25-14-6-4-5-13(11-14)21-12-17(23)22-15-7-2-3-8-16(15)26-18(19)20/h2-8,11,18,21H,9-10,12H2,1H3,(H,22,23)
InChIKeyKVVCWRDQPVDKDW-UHFFFAOYSA-N
XLogP4.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 54829653
N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829779
N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide
CID 54823718
N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829747
2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 87029683
2-[3-(2-methoxyethoxy)anilino]-N-(1-phenylethyl)acetamide
CID 54829392
N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830494
N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826111
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 87029713
N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide
CID 112766444
N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829431
2-[3-(2-ethoxyethoxy)anilino]-N-naphthalen-1-ylacetamide
CID 54827574

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide (CID 87029705) is N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide is COCCOc1cccc(NCC(=O)Nc2ccccc2SC(F)F)c1.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide?
The InChIKey is KVVCWRDQPVDKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-24-9-10-25-14-6-4-5-13(11-14)21-12-17(23)22-15-7-2-3-8-16(15)26-18(19)20/h2-8,11,18,21H,9-10,12H2,1H3,(H,22,23).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide has a molecular weight of 382.43 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide is sourced from PubChem (CID 87029705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).