N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide

C15H20F2N2O2S — CID 99850140

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide
SMILESCN(Cc1cccc(OC(F)F)c1)C(=O)C[C@H]1CSCCN1
InChIInChI=1S/C15H20F2N2O2S/c1-19(14(20)8-12-10-22-6-5-18-12)9-11-3-2-4-13(7-11)21-15(16)17/h2-4,7,12,15,18H,5-6,8-10H2,1H3/t12-/m0/s1
InChIKeyIMJZEANEFMJRGR-LBPRGKRZSA-N
MW330.40 g/mol
LogP2.34
Rot. Bonds6

About N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide

N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide (PubChem CID 99850140) has the molecular formula C15H20F2N2O2S and a molecular weight of 330.40 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide
PubChem CID99850140
Molecular FormulaC15H20F2N2O2S
Molecular Weight330.40 g/mol
Exact Mass330.12
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide
SMILESCN(Cc1cccc(OC(F)F)c1)C(=O)C[C@H]1CSCCN1
InChIInChI=1S/C15H20F2N2O2S/c1-19(14(20)8-12-10-22-6-5-18-12)9-11-3-2-4-13(7-11)21-15(16)17/h2-4,7,12,15,18H,5-6,8-10H2,1H3/t12-/m0/s1
InChIKeyIMJZEANEFMJRGR-LBPRGKRZSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935276
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide
CID 97109015
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422882
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119937371
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide
CID 66421054
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259
N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119937412

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide (CID 99850140) is N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide is CN(Cc1cccc(OC(F)F)c1)C(=O)C[C@H]1CSCCN1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide?
The InChIKey is IMJZEANEFMJRGR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20F2N2O2S/c1-19(14(20)8-12-10-22-6-5-18-12)9-11-3-2-4-13(7-11)21-15(16)17/h2-4,7,12,15,18H,5-6,8-10H2,1H3/t12-/m0/s1.
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide?
N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide has a molecular weight of 330.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide is sourced from PubChem (CID 99850140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).