4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide

C22H16ClN3OS — CID 91399310

IUPAC4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)s1
InChIInChI=1S/C22H16ClN3OS/c1-14-25-26-22(28-14)24-21(27)18-11-12-20(23)19(13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,26,27)
InChIKeyUSEUYKXFUALWEN-UHFFFAOYSA-N
MW405.91 g/mol
LogP6.09
Rot. Bonds4

About 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide

4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide (PubChem CID 91399310) has the molecular formula C22H16ClN3OS and a molecular weight of 405.91 g/mol. Its IUPAC name is 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide
PubChem CID91399310
Molecular FormulaC22H16ClN3OS
Molecular Weight405.91 g/mol
Exact Mass405.07
IUPAC Name4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)s1
InChIInChI=1S/C22H16ClN3OS/c1-14-25-26-22(28-14)24-21(27)18-11-12-20(23)19(13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,26,27)
InChIKeyUSEUYKXFUALWEN-UHFFFAOYSA-N
XLogP6.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.91
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide
CID 11523880
4-chloro-N-(2-methoxypyrimidin-5-yl)-3-(4-phenylphenyl)benzamide
CID 11546154
4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide
CID 11690553
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide
CID 17296231
N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2449777
4-hydroxy-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 113357489
3,4-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077804
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium
CID 68551333
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 848587
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1398313

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide (CID 91399310) is 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide is Cc1nnc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)s1.
What is the InChIKey of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide?
The InChIKey is USEUYKXFUALWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3OS/c1-14-25-26-22(28-14)24-21(27)18-11-12-20(23)19(13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,26,27).
What are the key properties of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide?
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide has a molecular weight of 405.91 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide is sourced from PubChem (CID 91399310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).