2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone

C23H19N3O2S — CID 122606975

IUPAC2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone
SMILESCOc1cccc(NC(C(=O)c2snnc2-c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H19N3O2S/c1-28-19-14-8-13-18(15-19)24-20(16-9-4-2-5-10-16)22(27)23-21(25-26-29-23)17-11-6-3-7-12-17/h2-15,20,24H,1H3
InChIKeyMPJJQLVEHGESHF-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.25
Rot. Bonds7

About 2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone

2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone (PubChem CID 122606975) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone
PubChem CID122606975
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone
SMILESCOc1cccc(NC(C(=O)c2snnc2-c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H19N3O2S/c1-28-19-14-8-13-18(15-19)24-20(16-9-4-2-5-10-16)22(27)23-21(25-26-29-23)17-11-6-3-7-12-17/h2-15,20,24H,1H3
InChIKeyMPJJQLVEHGESHF-UHFFFAOYSA-N
XLogP5.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone
CID 86272430
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449
N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747133
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535111
1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone
CID 86728817
N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100746623
2-(3-methoxyanilino)-1-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-phenylethanone;hydrochloride
CID 86728858
N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747027
4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide
CID 100747220
2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)acetamide
CID 60995627
2-(4-ethylphenyl)-2-(3-methoxyanilino)acetamide
CID 61005414

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone (CID 122606975) is 2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone is COc1cccc(NC(C(=O)c2snnc2-c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone?
The InChIKey is MPJJQLVEHGESHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-28-19-14-8-13-18(15-19)24-20(16-9-4-2-5-10-16)22(27)23-21(25-26-29-23)17-11-6-3-7-12-17/h2-15,20,24H,1H3.
What are the key properties of 2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone?
2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone has a molecular weight of 401.49 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 122606975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).