N-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide

C16H20F2N4O2S — CID 51280153

IUPACN-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCC(Sc1nc2ccccc2n1C(F)F)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C16H20F2N4O2S/c1-9(12(23)20-14(24)21-16(2,3)4)25-15-19-10-7-5-6-8-11(10)22(15)13(17)18/h5-9,13H,1-4H3,(H2,20,21,23,24)
InChIKeyABBGLWBFFSCMPG-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.54
Rot. Bonds4

About N-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide

N-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide (PubChem CID 51280153) has the molecular formula C16H20F2N4O2S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
PubChem CID51280153
Molecular FormulaC16H20F2N4O2S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC NameN-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCC(Sc1nc2ccccc2n1C(F)F)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C16H20F2N4O2S/c1-9(12(23)20-14(24)21-16(2,3)4)25-15-19-10-7-5-6-8-11(10)22(15)13(17)18/h5-9,13H,1-4H3,(H2,20,21,23,24)
InChIKeyABBGLWBFFSCMPG-UHFFFAOYSA-N
XLogP3.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(tert-butylcarbamoyl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanamide
CID 18091322
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(tert-butylcarbamoyl)propanamide
CID 8727316
N-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 51280107
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(4-ethylphenyl)propanamide
CID 46574997
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(tert-butylcarbamoyl)propanamide
CID 40665072
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 47021928
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46660249
(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 33249136
methyl 2-[2-[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 9309896
(2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
CID 27507138
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide
CID 87019175
N-(ethylcarbamoyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylpropanamide
CID 4814960

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide (CID 51280153) is N-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide is CC(Sc1nc2ccccc2n1C(F)F)C(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
The InChIKey is ABBGLWBFFSCMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O2S/c1-9(12(23)20-14(24)21-16(2,3)4)25-15-19-10-7-5-6-8-11(10)22(15)13(17)18/h5-9,13H,1-4H3,(H2,20,21,23,24).
What are the key properties of N-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
N-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide has a molecular weight of 370.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 51280153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).