2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide

C21H16N2O2S — CID 3670324

IUPAC2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1
InChIInChI=1S/C21H16N2O2S/c1-25-17-12-10-16(11-13-17)23-21(24)18-7-3-5-9-20(18)26-19-8-4-2-6-15(19)14-22/h2-13H,1H3,(H,23,24)
InChIKeyISJBWGNNZNQUAN-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.97
Rot. Bonds5

About 2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide

2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide (PubChem CID 3670324) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide
PubChem CID3670324
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1
InChIInChI=1S/C21H16N2O2S/c1-25-17-12-10-16(11-13-17)23-21(24)18-7-3-5-9-20(18)26-19-8-4-2-6-15(19)14-22/h2-13H,1H3,(H,23,24)
InChIKeyISJBWGNNZNQUAN-UHFFFAOYSA-N
XLogP4.97
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
CID 1471282
2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide
CID 43008037
N-(4-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide
CID 2389976
N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 34111218
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2-cyanophenyl)sulfanylbenzamide
CID 55769470
methyl (2S)-2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]sulfanylpropanoate
CID 94033049
2-(2-cyanophenyl)sulfanyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55714925
2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide
CID 17139487
2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 33091613
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 4845878
N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 93241968
N-butyl-2-(2-cyanophenyl)sulfanylbenzamide
CID 36711444

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide (CID 3670324) is 2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1.
What is the InChIKey of 2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide?
The InChIKey is ISJBWGNNZNQUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c1-25-17-12-10-16(11-13-17)23-21(24)18-7-3-5-9-20(18)26-19-8-4-2-6-15(19)14-22/h2-13H,1H3,(H,23,24).
What are the key properties of 2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide?
2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide has a molecular weight of 360.44 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 3670324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).