N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide

C15H22F2N2O2S — CID 111334131

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(SC(F)F)cc1)CC(C)(C)O
InChIInChI=1S/C15H22F2N2O2S/c1-4-19(10-15(2,3)21)9-13(20)18-11-5-7-12(8-6-11)22-14(16)17/h5-8,14,21H,4,9-10H2,1-3H3,(H,18,20)
InChIKeyLZWUVCUZMPZSPG-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.03
Rot. Bonds8

About N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide (PubChem CID 111334131) has the molecular formula C15H22F2N2O2S and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
PubChem CID111334131
Molecular FormulaC15H22F2N2O2S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(SC(F)F)cc1)CC(C)(C)O
InChIInChI=1S/C15H22F2N2O2S/c1-4-19(10-15(2,3)21)9-13(20)18-11-5-7-12(8-6-11)22-14(16)17/h5-8,14,21H,4,9-10H2,1-3H3,(H,18,20)
InChIKeyLZWUVCUZMPZSPG-UHFFFAOYSA-N
XLogP3.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 8756660
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 112759140
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-fluorophenyl)acetamide
CID 78962382
N-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962132
2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 18083018
N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 78773616
2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 112759116
N-(3-aminophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384491
N-(3-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962723
N-(3-acetylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962325
N-(4-tert-butylphenyl)-2-(diethylamino)acetamide
CID 59866099
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide (CID 111334131) is N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide is CCN(CC(=O)Nc1ccc(SC(F)F)cc1)CC(C)(C)O.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide?
The InChIKey is LZWUVCUZMPZSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2S/c1-4-19(10-15(2,3)21)9-13(20)18-11-5-7-12(8-6-11)22-14(16)17/h5-8,14,21H,4,9-10H2,1-3H3,(H,18,20).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide has a molecular weight of 332.42 g/mol, XLogP of 3.03, 8 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-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide is sourced from PubChem (CID 111334131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).