N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C14H15F2N3O2S2 — CID 40749697

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCCc2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C14H15F2N3O2S2/c1-9-18-19-14(23-9)22-8-12(20)17-7-6-10-2-4-11(5-3-10)21-13(15)16/h2-5,13H,6-8H2,1H3,(H,17,20)
InChIKeyHLWAQMNRPKJUGN-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.90
Rot. Bonds8

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 40749697) has the molecular formula C14H15F2N3O2S2 and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID40749697
Molecular FormulaC14H15F2N3O2S2
Molecular Weight359.42 g/mol
Exact Mass359.06
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCCc2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C14H15F2N3O2S2/c1-9-18-19-14(23-9)22-8-12(20)17-7-6-10-2-4-11(5-3-10)21-13(15)16/h2-5,13H,6-8H2,1H3,(H,17,20)
InChIKeyHLWAQMNRPKJUGN-UHFFFAOYSA-N
XLogP2.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 40749697) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NCCc2ccc(OC(F)F)cc2)s1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is HLWAQMNRPKJUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S2/c1-9-18-19-14(23-9)22-8-12(20)17-7-6-10-2-4-11(5-3-10)21-13(15)16/h2-5,13H,6-8H2,1H3,(H,17,20).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 359.42 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 40749697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).