N-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide

C18H18ClF2NO3S — CID 8969593

IUPACN-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide
SMILESCOc1cc(CSCC(=O)Nc2cc(Cl)ccc2C)ccc1OC(F)F
InChIInChI=1S/C18H18ClF2NO3S/c1-11-3-5-13(19)8-14(11)22-17(23)10-26-9-12-4-6-15(25-18(20)21)16(7-12)24-2/h3-8,18H,9-10H2,1-2H3,(H,22,23)
InChIKeyBSWWLEJCHNNEGU-UHFFFAOYSA-N
MW401.86 g/mol
LogP5.13
Rot. Bonds8

About N-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide

N-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide (PubChem CID 8969593) has the molecular formula C18H18ClF2NO3S and a molecular weight of 401.86 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide
PubChem CID8969593
Molecular FormulaC18H18ClF2NO3S
Molecular Weight401.86 g/mol
Exact Mass401.07
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide
SMILESCOc1cc(CSCC(=O)Nc2cc(Cl)ccc2C)ccc1OC(F)F
InChIInChI=1S/C18H18ClF2NO3S/c1-11-3-5-13(19)8-14(11)22-17(23)10-26-9-12-4-6-15(25-18(20)21)16(7-12)24-2/h3-8,18H,9-10H2,1-2H3,(H,22,23)
InChIKeyBSWWLEJCHNNEGU-UHFFFAOYSA-N
XLogP5.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.86
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 26553804
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8969526
N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide
CID 8969520
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 846748
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 24574581
N-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 16602984
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide
CID 46801652
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 46799772
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 40712202
2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126380861
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79682314
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 8712604

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide (CID 8969593) is N-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide is COc1cc(CSCC(=O)Nc2cc(Cl)ccc2C)ccc1OC(F)F.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide?
The InChIKey is BSWWLEJCHNNEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2NO3S/c1-11-3-5-13(19)8-14(11)22-17(23)10-26-9-12-4-6-15(25-18(20)21)16(7-12)24-2/h3-8,18H,9-10H2,1-2H3,(H,22,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide has a molecular weight of 401.86 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide is sourced from PubChem (CID 8969593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).