N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide

C26H22N4O2S — CID 118710005

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide
SMILESCCc1nnc(NC(=O)Cn2c(-c3ccccc3)cc(-c3ccccc3)c2-c2ccco2)s1
InChIInChI=1S/C26H22N4O2S/c1-2-24-28-29-26(33-24)27-23(31)17-30-21(19-12-7-4-8-13-19)16-20(18-10-5-3-6-11-18)25(30)22-14-9-15-32-22/h3-16H,2,17H2,1H3,(H,27,29,31)
InChIKeyREXJYFBHFSAIFZ-UHFFFAOYSA-N
MW454.56 g/mol
LogP6.13
Rot. Bonds7

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide (PubChem CID 118710005) has the molecular formula C26H22N4O2S and a molecular weight of 454.56 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide
PubChem CID118710005
Molecular FormulaC26H22N4O2S
Molecular Weight454.56 g/mol
Exact Mass454.15
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide
SMILESCCc1nnc(NC(=O)Cn2c(-c3ccccc3)cc(-c3ccccc3)c2-c2ccco2)s1
InChIInChI=1S/C26H22N4O2S/c1-2-24-28-29-26(33-24)27-23(31)17-30-21(19-12-7-4-8-13-19)16-20(18-10-5-3-6-11-18)25(30)22-14-9-15-32-22/h3-16H,2,17H2,1H3,(H,27,29,31)
InChIKeyREXJYFBHFSAIFZ-UHFFFAOYSA-N
XLogP6.13
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.56
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide (CID 118710005) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide is CCc1nnc(NC(=O)Cn2c(-c3ccccc3)cc(-c3ccccc3)c2-c2ccco2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide?
The InChIKey is REXJYFBHFSAIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2S/c1-2-24-28-29-26(33-24)27-23(31)17-30-21(19-12-7-4-8-13-19)16-20(18-10-5-3-6-11-18)25(30)22-14-9-15-32-22/h3-16H,2,17H2,1H3,(H,27,29,31).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide has a molecular weight of 454.56 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide is sourced from PubChem (CID 118710005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).