N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide

C17H18F2N2O3S2 — CID 30574409

IUPACN-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
SMILESO=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O3S2/c18-14-7-6-12(10-15(14)19)20-16(22)11-13-4-1-2-8-21(13)26(23,24)17-5-3-9-25-17/h3,5-7,9-10,13H,1-2,4,8,11H2,(H,20,22)/t13-/m1/s1
InChIKeyCOWSIUSZZHSXLC-CYBMUJFWSA-N
MW400.47 g/mol
LogP3.60
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide

N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide (PubChem CID 30574409) has the molecular formula C17H18F2N2O3S2 and a molecular weight of 400.47 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
PubChem CID30574409
Molecular FormulaC17H18F2N2O3S2
Molecular Weight400.47 g/mol
Exact Mass400.07
IUPAC NameN-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
SMILESO=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O3S2/c18-14-7-6-12(10-15(14)19)20-16(22)11-13-4-1-2-8-21(13)26(23,24)17-5-3-9-25-17/h3,5-7,9-10,13H,1-2,4,8,11H2,(H,20,22)/t13-/m1/s1
InChIKeyCOWSIUSZZHSXLC-CYBMUJFWSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide
CID 16826867
N-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574482
N-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574510
N-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574331
N-cyclohexyl-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 26562522
N-(2-methoxyphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574540
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 42065132
(3S)-N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012522
N-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide
CID 16826871
N-(3-fluoro-4-methylphenyl)-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16836998
N-(4-fluorophenyl)-2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 42065315
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide (CID 30574409) is N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide is O=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
The InChIKey is COWSIUSZZHSXLC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18F2N2O3S2/c18-14-7-6-12(10-15(14)19)20-16(22)11-13-4-1-2-8-21(13)26(23,24)17-5-3-9-25-17/h3,5-7,9-10,13H,1-2,4,8,11H2,(H,20,22)/t13-/m1/s1.
What are the key properties of N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide has a molecular weight of 400.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide is sourced from PubChem (CID 30574409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).