2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

C22H14N4OS2 — CID 55382568

IUPAC2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C22H14N4OS2/c23-14-16-10-4-6-12-18(16)28-19-13-7-5-11-17(19)20(27)24-22-26-25-21(29-22)15-8-2-1-3-9-15/h1-13H,(H,24,26,27)
InChIKeyHAGYGZUTHNHZJK-UHFFFAOYSA-N
MW414.52 g/mol
LogP5.48
Rot. Bonds5

About 2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 55382568) has the molecular formula C22H14N4OS2 and a molecular weight of 414.52 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID55382568
Molecular FormulaC22H14N4OS2
Molecular Weight414.52 g/mol
Exact Mass414.06
IUPAC Name2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C22H14N4OS2/c23-14-16-10-4-6-12-18(16)28-19-13-7-5-11-17(19)20(27)24-22-26-25-21(29-22)15-8-2-1-3-9-15/h1-13H,(H,24,26,27)
InChIKeyHAGYGZUTHNHZJK-UHFFFAOYSA-N
XLogP5.48
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.52
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
CID 1471282
2-(2-cyanophenyl)sulfanyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 16549637
N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 34111218
2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide
CID 43008037
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2-cyanophenyl)sulfanylbenzamide
CID 55769470
N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide
CID 60557155
2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide
CID 3670324
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-dihydro-2-benzofuran-4-carboxamide
CID 167755198
2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide
CID 17139487
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 18273975
N-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
CID 134011955

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CID 55382568) is 2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is HAGYGZUTHNHZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4OS2/c23-14-16-10-4-6-12-18(16)28-19-13-7-5-11-17(19)20(27)24-22-26-25-21(29-22)15-8-2-1-3-9-15/h1-13H,(H,24,26,27).
What are the key properties of 2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 414.52 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 55382568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).