2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide

C22H19F2N3O2S — CID 112767366

IUPAC2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C22H19F2N3O2S/c1-25-20(28)14-5-4-6-16(13-14)27-21(29)18-7-2-3-8-19(18)26-15-9-11-17(12-10-15)30-22(23)24/h2-13,22,26H,1H3,(H,25,28)(H,27,29)
InChIKeyFOILIGCEUVIAQZ-UHFFFAOYSA-N
MW427.48 g/mol
LogP5.36
Rot. Bonds7

About 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide

2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide (PubChem CID 112767366) has the molecular formula C22H19F2N3O2S and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide
PubChem CID112767366
Molecular FormulaC22H19F2N3O2S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C22H19F2N3O2S/c1-25-20(28)14-5-4-6-16(13-14)27-21(29)18-7-2-3-8-19(18)26-15-9-11-17(12-10-15)30-22(23)24/h2-13,22,26H,1H3,(H,25,28)(H,27,29)
InChIKeyFOILIGCEUVIAQZ-UHFFFAOYSA-N
XLogP5.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2321982
2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 21179535
2-[4-(difluoromethylsulfanyl)anilino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 112791220
2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 112767345
N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide
CID 7731668
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 51339145
2-[4-(difluoromethylsulfanyl)anilino]-N-methyl-N-propan-2-ylbenzamide
CID 112812209
[4-[2-[4-(difluoromethylsulfanyl)anilino]benzoyl]piperazin-1-yl]-phenylmethanone
CID 112792151
1-[4-[2-[4-(difluoromethylsulfanyl)anilino]benzoyl]piperazin-1-yl]ethanone
CID 52895268
2-[(4-fluorophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 16550314
[2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone
CID 1182724
N-[2-(cyclopropanecarbonylamino)ethyl]-2-[4-(difluoromethylsulfanyl)anilino]benzamide
CID 112767631

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide (CID 112767366) is 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1cccc(NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)c1.
What is the InChIKey of 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is FOILIGCEUVIAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2S/c1-25-20(28)14-5-4-6-16(13-14)27-21(29)18-7-2-3-8-19(18)26-15-9-11-17(12-10-15)30-22(23)24/h2-13,22,26H,1H3,(H,25,28)(H,27,29).
What are the key properties of 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide?
2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 427.48 g/mol, XLogP of 5.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 112767366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).