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

C19H24N2O3S2 — CID 30574510

IUPACN-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C19H24N2O3S2/c1-14-7-5-8-15(2)19(14)20-17(22)13-16-9-3-4-11-21(16)26(23,24)18-10-6-12-25-18/h5-8,10,12,16H,3-4,9,11,13H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyPXYHSHHASZNLIZ-INIZCTEOSA-N
MW392.55 g/mol
LogP3.94
Rot. Bonds5

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

N-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide (PubChem CID 30574510) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
PubChem CID30574510
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C19H24N2O3S2/c1-14-7-5-8-15(2)19(14)20-17(22)13-16-9-3-4-11-21(16)26(23,24)18-10-6-12-25-18/h5-8,10,12,16H,3-4,9,11,13H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyPXYHSHHASZNLIZ-INIZCTEOSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.94
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-methoxyphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574540
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-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574409
N-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574482
N-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide
CID 16826871
N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]cyclopropanesulfonamide
CID 121084159
N-(2-methyl-6-propan-2-ylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341696
N'-(2,5-dimethylphenyl)-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195919

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide (CID 30574510) is N-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide is Cc1cccc(C)c1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
The InChIKey is PXYHSHHASZNLIZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-14-7-5-8-15(2)19(14)20-17(22)13-16-9-3-4-11-21(16)26(23,24)18-10-6-12-25-18/h5-8,10,12,16H,3-4,9,11,13H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide has a molecular weight of 392.55 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide is sourced from PubChem (CID 30574510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).