4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide

C22H16N4O3S — CID 56548861

IUPAC4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1
InChIInChI=1S/C22H16N4O3S/c23-19(27)14-6-10-17(11-7-14)29-18-12-8-15(9-13-18)20(28)24-22-26-25-21(30-22)16-4-2-1-3-5-16/h1-13H,(H2,23,27)(H,24,26,28)
InChIKeyZQTRMKTUFJYMHG-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.35
Rot. Bonds6

About 4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide

4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide (PubChem CID 56548861) has the molecular formula C22H16N4O3S and a molecular weight of 416.46 g/mol. Its IUPAC name is 4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide
PubChem CID56548861
Molecular FormulaC22H16N4O3S
Molecular Weight416.46 g/mol
Exact Mass416.09
IUPAC Name4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1
InChIInChI=1S/C22H16N4O3S/c23-19(27)14-6-10-17(11-7-14)29-18-12-8-15(9-13-18)20(28)24-22-26-25-21(30-22)16-4-2-1-3-5-16/h1-13H,(H2,23,27)(H,24,26,28)
InChIKeyZQTRMKTUFJYMHG-UHFFFAOYSA-N
XLogP4.35
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[5-[4-(4-bromophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 155943213
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82176843
N-[5-[4-(4-bromophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 155943154
N-[5-[4-(4-fluorophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 139582491
2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45022028
6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 27991303
3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991331
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 45021560
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034
4-tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1042304
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991649

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide (CID 56548861) is 4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1.
What is the InChIKey of 4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide?
The InChIKey is ZQTRMKTUFJYMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3S/c23-19(27)14-6-10-17(11-7-14)29-18-12-8-15(9-13-18)20(28)24-22-26-25-21(30-22)16-4-2-1-3-5-16/h1-13H,(H2,23,27)(H,24,26,28).
What are the key properties of 4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide?
4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide has a molecular weight of 416.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56548861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).