N-[3-acetyl-2-[3,4-bis(phenylmethoxy)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide

C26H25N3O4S — CID 4610914

IUPACN-[3-acetyl-2-[3,4-bis(phenylmethoxy)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)S1
InChIInChI=1S/C26H25N3O4S/c1-18(30)27-26-28-29(19(2)31)25(34-26)22-13-14-23(32-16-20-9-5-3-6-10-20)24(15-22)33-17-21-11-7-4-8-12-21/h3-15,25H,16-17H2,1-2H3,(H,27,28,30)
InChIKeyWSBDRWBOXOLCOX-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.85
Rot. Bonds7

About N-[3-acetyl-2-[3,4-bis(phenylmethoxy)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide

N-[3-acetyl-2-[3,4-bis(phenylmethoxy)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide (PubChem CID 4610914) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[3-acetyl-2-[3,4-bis(phenylmethoxy)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-acetyl-2-[3,4-bis(phenylmethoxy)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
PubChem CID4610914
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC NameN-[3-acetyl-2-[3,4-bis(phenylmethoxy)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)S1
InChIInChI=1S/C26H25N3O4S/c1-18(30)27-26-28-29(19(2)31)25(34-26)22-13-14-23(32-16-20-9-5-3-6-10-20)24(15-22)33-17-21-11-7-4-8-12-21/h3-15,25H,16-17H2,1-2H3,(H,27,28,30)
InChIKeyWSBDRWBOXOLCOX-UHFFFAOYSA-N
XLogP4.85
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-2-[3,4-bis(phenylmethoxy)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide?
The IUPAC name of N-[3-acetyl-2-[3,4-bis(phenylmethoxy)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide (CID 4610914) is N-[3-acetyl-2-[3,4-bis(phenylmethoxy)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for N-[3-acetyl-2-[3,4-bis(phenylmethoxy)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for N-[3-acetyl-2-[3,4-bis(phenylmethoxy)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide is CC(=O)NC1=NN(C(C)=O)C(c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)S1.
What is the InChIKey of N-[3-acetyl-2-[3,4-bis(phenylmethoxy)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide?
The InChIKey is WSBDRWBOXOLCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-18(30)27-26-28-29(19(2)31)25(34-26)22-13-14-23(32-16-20-9-5-3-6-10-20)24(15-22)33-17-21-11-7-4-8-12-21/h3-15,25H,16-17H2,1-2H3,(H,27,28,30).
What are the key properties of N-[3-acetyl-2-[3,4-bis(phenylmethoxy)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide?
N-[3-acetyl-2-[3,4-bis(phenylmethoxy)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide has a molecular weight of 475.57 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-2-[3,4-bis(phenylmethoxy)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 4610914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).