N-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide

C19H24N2O3S2 — CID 16826867

IUPACN-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)CC2CCCCN2S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H24N2O3S2/c1-14-10-15(2)12-16(11-14)20-18(22)13-17-6-3-4-8-21(17)26(23,24)19-7-5-9-25-19/h5,7,9-12,17H,3-4,6,8,13H2,1-2H3,(H,20,22)
InChIKeyNDCZFVCIIMPDAJ-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.94
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide

N-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide (PubChem CID 16826867) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide
PubChem CID16826867
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)CC2CCCCN2S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H24N2O3S2/c1-14-10-15(2)12-16(11-14)20-18(22)13-17-6-3-4-8-21(17)26(23,24)19-7-5-9-25-19/h5,7,9-12,17H,3-4,6,8,13H2,1-2H3,(H,20,22)
InChIKeyNDCZFVCIIMPDAJ-UHFFFAOYSA-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-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574510
N'-(3,5-dimethylphenyl)-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195670
N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574409
N-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574331
N-(2-methoxyphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574540
N-cyclohexyl-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 26562522
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
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
N'-(2,5-dimethylphenyl)-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195919
N'-(2,5-dimethylphenyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide
CID 16829776
N'-(2-chlorophenyl)-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195896

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide (CID 16826867) is N-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide is Cc1cc(C)cc(NC(=O)CC2CCCCN2S(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide?
The InChIKey is NDCZFVCIIMPDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-14-10-15(2)12-16(11-14)20-18(22)13-17-6-3-4-8-21(17)26(23,24)19-7-5-9-25-19/h5,7,9-12,17H,3-4,6,8,13H2,1-2H3,(H,20,22).
What are the key properties of N-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(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-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide is sourced from PubChem (CID 16826867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).