N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide

C15H20F2N2O2S — CID 136585074

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(SC(F)F)cc1)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C15H20F2N2O2S/c1-19(12-3-2-4-13(12)20)9-14(21)18-10-5-7-11(8-6-10)22-15(16)17/h5-8,12-13,15,20H,2-4,9H2,1H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyUPVJKGSUAABORY-CHWSQXEVSA-N
MW330.40 g/mol
LogP2.79
Rot. Bonds6

About N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide (PubChem CID 136585074) has the molecular formula C15H20F2N2O2S and a molecular weight of 330.40 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide
PubChem CID136585074
Molecular FormulaC15H20F2N2O2S
Molecular Weight330.40 g/mol
Exact Mass330.12
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(SC(F)F)cc1)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C15H20F2N2O2S/c1-19(12-3-2-4-13(12)20)9-14(21)18-10-5-7-11(8-6-10)22-15(16)17/h5-8,12-13,15,20H,2-4,9H2,1H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyUPVJKGSUAABORY-CHWSQXEVSA-N
XLogP2.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide with MolForge

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
CID 55533983
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 8756660
2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 18083018
trans-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 7778054
1-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 18125194
N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 102631536
2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 2698696
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 112759140
methyl 1-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 2442356
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]acetamide
CID 18082951
N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 111334131
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 120775379

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide (CID 136585074) is N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide is CN(CC(=O)Nc1ccc(SC(F)F)cc1)[C@@H]1CCC[C@H]1O.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide?
The InChIKey is UPVJKGSUAABORY-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H20F2N2O2S/c1-19(12-3-2-4-13(12)20)9-14(21)18-10-5-7-11(8-6-10)22-15(16)17/h5-8,12-13,15,20H,2-4,9H2,1H3,(H,18,21)/t12-,13-/m1/s1.
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide has a molecular weight of 330.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide is sourced from PubChem (CID 136585074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).