N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide

C20H17FN4O3S — CID 86881719

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2C(=O)Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C20H17FN4O3S/c1-28-14-7-4-11(5-8-14)17(26)22-16-10-13(21)6-9-15(16)18(27)23-20-25-24-19(29-20)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,22,26)(H,23,25,27)
InChIKeyFVHKMMFKRAFGEG-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.07
Rot. Bonds6

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 86881719) has the molecular formula C20H17FN4O3S and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide
PubChem CID86881719
Molecular FormulaC20H17FN4O3S
Molecular Weight412.45 g/mol
Exact Mass412.10
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2C(=O)Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C20H17FN4O3S/c1-28-14-7-4-11(5-8-14)17(26)22-16-10-13(21)6-9-15(16)18(27)23-20-25-24-19(29-20)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,22,26)(H,23,25,27)
InChIKeyFVHKMMFKRAFGEG-UHFFFAOYSA-N
XLogP4.07
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 18075073
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 3926032
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide
CID 18189556
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 19229187
N-[5-[4-(4-fluorophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 139582491
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-pentoxybenzamide
CID 4501787
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 38485260
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 2370286
2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 45021560

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide (CID 86881719) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide is COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)Nc2nnc(C3CC3)s2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is FVHKMMFKRAFGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S/c1-28-14-7-4-11(5-8-14)17(26)22-16-10-13(21)6-9-15(16)18(27)23-20-25-24-19(29-20)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,22,26)(H,23,25,27).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 412.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 86881719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).