N-[4-[1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide

C22H22F2N4O2S — CID 55599628

IUPACN-[4-[1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)Cn1c(SC(F)F)nc2ccccc21)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H22F2N4O2S/c1-13(14-8-10-16(11-9-14)26-20(30)15-6-7-15)25-19(29)12-28-18-5-3-2-4-17(18)27-22(28)31-21(23)24/h2-5,8-11,13,15,21H,6-7,12H2,1H3,(H,25,29)(H,26,30)
InChIKeyFJHLCFCFXNZWJH-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.58
Rot. Bonds8

About N-[4-[1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 55599628) has the molecular formula C22H22F2N4O2S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[4-[1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID55599628
Molecular FormulaC22H22F2N4O2S
Molecular Weight444.51 g/mol
Exact Mass444.14
IUPAC NameN-[4-[1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)Cn1c(SC(F)F)nc2ccccc21)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H22F2N4O2S/c1-13(14-8-10-16(11-9-14)26-20(30)15-6-7-15)25-19(29)12-28-18-5-3-2-4-17(18)27-22(28)31-21(23)24/h2-5,8-11,13,15,21H,6-7,12H2,1H3,(H,25,29)(H,26,30)
InChIKeyFJHLCFCFXNZWJH-UHFFFAOYSA-N
XLogP4.58
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide 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

N-[4-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]-3-methylbutanamide
CID 46543245
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 75479114
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide
CID 39953718
1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-3-methylurea
CID 86835783
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 51238043
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30764002
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 55406074
2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide
CID 86908094
tert-butyl 4-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 55985659
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 55462678
2-[4-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]piperazin-1-yl]-N-phenylacetamide
CID 34435710
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 56569606

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide (CID 55599628) is N-[4-[1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide is CC(NC(=O)Cn1c(SC(F)F)nc2ccccc21)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is FJHLCFCFXNZWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2S/c1-13(14-8-10-16(11-9-14)26-20(30)15-6-7-15)25-19(29)12-28-18-5-3-2-4-17(18)27-22(28)31-21(23)24/h2-5,8-11,13,15,21H,6-7,12H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[4-[1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 444.51 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55599628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).