2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide

C20H17F2N3OS — CID 25469086

IUPAC2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccccc1Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C20H17F2N3OS/c21-20(22)27-16-10-8-14(9-11-16)25-18-7-2-1-6-17(18)19(26)24-13-15-5-3-4-12-23-15/h1-12,20,25H,13H2,(H,24,26)
InChIKeyQGNCVWPKQCOYAV-UHFFFAOYSA-N
MW385.44 g/mol
LogP5.07
Rot. Bonds7

About 2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide

2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 25469086) has the molecular formula C20H17F2N3OS and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID25469086
Molecular FormulaC20H17F2N3OS
Molecular Weight385.44 g/mol
Exact Mass385.11
IUPAC Name2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccccc1Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C20H17F2N3OS/c21-20(22)27-16-10-8-14(9-11-16)25-18-7-2-1-6-17(18)19(26)24-13-15-5-3-4-12-23-15/h1-12,20,25H,13H2,(H,24,26)
InChIKeyQGNCVWPKQCOYAV-UHFFFAOYSA-N
XLogP5.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 21179535
N-[2-(cyclopropanecarbonylamino)ethyl]-2-[4-(difluoromethylsulfanyl)anilino]benzamide
CID 112767631
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2539246
2-[4-(difluoromethylsulfanyl)anilino]-N-methyl-N-propan-2-ylbenzamide
CID 112812209
2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 168638648
2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 134110201
2-[(2-bromobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 26549863
[2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone
CID 1182724
2-[4-(difluoromethylsulfanyl)anilino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 112791220
azepan-1-yl-[2-[4-(difluoromethylsulfanyl)anilino]phenyl]methanone
CID 2313407

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide (CID 25469086) is 2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1ccccc1Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is QGNCVWPKQCOYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3OS/c21-20(22)27-16-10-8-14(9-11-16)25-18-7-2-1-6-17(18)19(26)24-13-15-5-3-4-12-23-15/h1-12,20,25H,13H2,(H,24,26).
What are the key properties of 2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide?
2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 385.44 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 25469086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).