N-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide

C17H17ClFNO3S — CID 16602984

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESCOc1cc(Cl)c(NC(=O)CSCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H17ClFNO3S/c1-22-15-7-13(18)14(8-16(15)23-2)20-17(21)10-24-9-11-3-5-12(19)6-4-11/h3-8H,9-10H2,1-2H3,(H,20,21)
InChIKeyGAWMERQULITBCX-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.37
Rot. Bonds7

About N-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide

N-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 16602984) has the molecular formula C17H17ClFNO3S and a molecular weight of 369.85 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
PubChem CID16602984
Molecular FormulaC17H17ClFNO3S
Molecular Weight369.85 g/mol
Exact Mass369.06
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESCOc1cc(Cl)c(NC(=O)CSCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H17ClFNO3S/c1-22-15-7-13(18)14(8-16(15)23-2)20-17(21)10-24-9-11-3-5-12(19)6-4-11/h3-8H,9-10H2,1-2H3,(H,20,21)
InChIKeyGAWMERQULITBCX-UHFFFAOYSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 38010315
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8969526
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide
CID 46422627
2-[2-(2,4-dichloro-5-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 1484176
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 9162762
2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 16602981
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195930
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8965975
N-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide
CID 8969593
methyl 4-chloro-3-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 92681215
N-(2-chloro-4,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 18139978
N-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 110007033

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide (CID 16602984) is N-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide is COc1cc(Cl)c(NC(=O)CSCc2ccc(F)cc2)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is GAWMERQULITBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3S/c1-22-15-7-13(18)14(8-16(15)23-2)20-17(21)10-24-9-11-3-5-12(19)6-4-11/h3-8H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
N-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 369.85 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 16602984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).