2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide

C16H14ClF2NO2S — CID 16527789

IUPAC2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C16H14ClF2NO2S/c17-13-8-12(6-7-14(13)22-16(18)19)20-15(21)10-23-9-11-4-2-1-3-5-11/h1-8,16H,9-10H2,(H,20,21)
InChIKeyHVRYMAJCAFNTQB-UHFFFAOYSA-N
MW357.81 g/mol
LogP4.81
Rot. Bonds7

About 2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide

2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide (PubChem CID 16527789) has the molecular formula C16H14ClF2NO2S and a molecular weight of 357.81 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
PubChem CID16527789
Molecular FormulaC16H14ClF2NO2S
Molecular Weight357.81 g/mol
Exact Mass357.04
IUPAC Name2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C16H14ClF2NO2S/c17-13-8-12(6-7-14(13)22-16(18)19)20-15(21)10-23-9-11-4-2-1-3-5-11/h1-8,16H,9-10H2,(H,20,21)
InChIKeyHVRYMAJCAFNTQB-UHFFFAOYSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.81
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16621443
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4845291
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8892189
2-benzylsulfanyl-N-phenylacetamide
CID 584914
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(5-chloro-2-pyridinyl)sulfanyl]acetamide
CID 112815647
2-benzylsulfanyl-N-naphthalen-2-ylacetamide
CID 2558119
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 8696473
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 17024298
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 78910804

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide (CID 16527789) is 2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide is O=C(CSCc1ccccc1)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is HVRYMAJCAFNTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO2S/c17-13-8-12(6-7-14(13)22-16(18)19)20-15(21)10-23-9-11-4-2-1-3-5-11/h1-8,16H,9-10H2,(H,20,21).
What are the key properties of 2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide?
2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 357.81 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 16527789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).