2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide

C18H18ClF2NO3S — CID 26553804

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
SMILESCOc1cc(CNC(=O)CSCc2ccc(Cl)cc2)ccc1OC(F)F
InChIInChI=1S/C18H18ClF2NO3S/c1-24-16-8-13(4-7-15(16)25-18(20)21)9-22-17(23)11-26-10-12-2-5-14(19)6-3-12/h2-8,18H,9-11H2,1H3,(H,22,23)
InChIKeyRKCAHDHTSJEJFW-UHFFFAOYSA-N
MW401.86 g/mol
LogP4.50
Rot. Bonds9

About 2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide (PubChem CID 26553804) has the molecular formula C18H18ClF2NO3S and a molecular weight of 401.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
PubChem CID26553804
Molecular FormulaC18H18ClF2NO3S
Molecular Weight401.86 g/mol
Exact Mass401.07
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
SMILESCOc1cc(CNC(=O)CSCc2ccc(Cl)cc2)ccc1OC(F)F
InChIInChI=1S/C18H18ClF2NO3S/c1-24-16-8-13(4-7-15(16)25-18(20)21)9-22-17(23)11-26-10-12-2-5-14(19)6-3-12/h2-8,18H,9-11H2,1H3,(H,22,23)
InChIKeyRKCAHDHTSJEJFW-UHFFFAOYSA-N
XLogP4.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.86
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide
CID 8969520
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 100556342
N-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide
CID 8969593
2-[(4-bromophenyl)methylsulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28633274
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9241198
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 95091670
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 27894841
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8969526
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 41497799
2-(2-chloro-4-fluorophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 41498200

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide (CID 26553804) is 2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide is COc1cc(CNC(=O)CSCc2ccc(Cl)cc2)ccc1OC(F)F.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide?
The InChIKey is RKCAHDHTSJEJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2NO3S/c1-24-16-8-13(4-7-15(16)25-18(20)21)9-22-17(23)11-26-10-12-2-5-14(19)6-3-12/h2-8,18H,9-11H2,1H3,(H,22,23).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide has a molecular weight of 401.86 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide is sourced from PubChem (CID 26553804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).