N-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide

C18H20F2N2O3S2 — CID 30574482

IUPACN-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccs1)NCc1c(F)cccc1F
InChIInChI=1S/C18H20F2N2O3S2/c19-15-6-3-7-16(20)14(15)12-21-17(23)11-13-5-1-2-9-22(13)27(24,25)18-8-4-10-26-18/h3-4,6-8,10,13H,1-2,5,9,11-12H2,(H,21,23)/t13-/m0/s1
InChIKeyVNYZANYJAATVPT-ZDUSSCGKSA-N
MW414.50 g/mol
LogP3.28
Rot. Bonds6

About N-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide

N-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide (PubChem CID 30574482) has the molecular formula C18H20F2N2O3S2 and a molecular weight of 414.50 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
PubChem CID30574482
Molecular FormulaC18H20F2N2O3S2
Molecular Weight414.50 g/mol
Exact Mass414.09
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccs1)NCc1c(F)cccc1F
InChIInChI=1S/C18H20F2N2O3S2/c19-15-6-3-7-16(20)14(15)12-21-17(23)11-13-5-1-2-9-22(13)27(24,25)18-8-4-10-26-18/h3-4,6-8,10,13H,1-2,5,9,11-12H2,(H,21,23)/t13-/m0/s1
InChIKeyVNYZANYJAATVPT-ZDUSSCGKSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574409
N-cyclohexyl-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 26562522
N-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574510
N-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide
CID 16826871
N-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574331
N-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide
CID 16826867
N-(2-methoxyphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574540
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286373
N'-[2-(4-fluorophenyl)ethyl]-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195687
N'-[(4-chlorophenyl)methyl]-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195608
N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide
CID 18574464

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide (CID 30574482) is N-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide is O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccs1)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
The InChIKey is VNYZANYJAATVPT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20F2N2O3S2/c19-15-6-3-7-16(20)14(15)12-21-17(23)11-13-5-1-2-9-22(13)27(24,25)18-8-4-10-26-18/h3-4,6-8,10,13H,1-2,5,9,11-12H2,(H,21,23)/t13-/m0/s1.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
N-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide has a molecular weight of 414.50 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide is sourced from PubChem (CID 30574482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).