2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide

C17H15F2N3O2S — CID 55546879

IUPAC2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2nc3cc(F)c(F)cc3[nH]2)cc1
InChIInChI=1S/C17H15F2N3O2S/c1-9(16(23)20-10-3-5-11(24-2)6-4-10)25-17-21-14-7-12(18)13(19)8-15(14)22-17/h3-9H,1-2H3,(H,20,23)(H,21,22)
InChIKeyBWSGKNHTPAUHLU-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.97
Rot. Bonds5

About 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide

2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide (PubChem CID 55546879) has the molecular formula C17H15F2N3O2S and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
PubChem CID55546879
Molecular FormulaC17H15F2N3O2S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC Name2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2nc3cc(F)c(F)cc3[nH]2)cc1
InChIInChI=1S/C17H15F2N3O2S/c1-9(16(23)20-10-3-5-11(24-2)6-4-10)25-17-21-14-7-12(18)13(19)8-15(14)22-17/h3-9H,1-2H3,(H,20,23)(H,21,22)
InChIKeyBWSGKNHTPAUHLU-UHFFFAOYSA-N
XLogP3.97
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide 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

4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide
CID 55532709
N-(4-acetamidophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 4817499
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)propanamide
CID 40664669
4-[[(2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanoyl]amino]benzamide
CID 40720274
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide
CID 18275245
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 42925541
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 135811683
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 22110231
N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide
CID 84602064
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7225818
(2R)-N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26373927
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)propanamide
CID 762694

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide (CID 55546879) is 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)Sc2nc3cc(F)c(F)cc3[nH]2)cc1.
What is the InChIKey of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide?
The InChIKey is BWSGKNHTPAUHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S/c1-9(16(23)20-10-3-5-11(24-2)6-4-10)25-17-21-14-7-12(18)13(19)8-15(14)22-17/h3-9H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide?
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide has a molecular weight of 363.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 55546879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).