N-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide

C20H26N2O3S2 — CID 16826871

IUPACN-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide
SMILESO=C(CC1CCCCN1S(=O)(=O)c1cccs1)NCCCc1ccccc1
InChIInChI=1S/C20H26N2O3S2/c23-19(21-13-6-10-17-8-2-1-3-9-17)16-18-11-4-5-14-22(18)27(24,25)20-12-7-15-26-20/h1-3,7-9,12,15,18H,4-6,10-11,13-14,16H2,(H,21,23)
InChIKeyZVZMNJDWNCYEQV-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.43
Rot. Bonds8

About N-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide

N-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide (PubChem CID 16826871) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide
PubChem CID16826871
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide
SMILESO=C(CC1CCCCN1S(=O)(=O)c1cccs1)NCCCc1ccccc1
InChIInChI=1S/C20H26N2O3S2/c23-19(21-13-6-10-17-8-2-1-3-9-17)16-18-11-4-5-14-22(18)27(24,25)20-12-7-15-26-20/h1-3,7-9,12,15,18H,4-6,10-11,13-14,16H2,(H,21,23)
InChIKeyZVZMNJDWNCYEQV-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(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-(2-methoxyphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574540
N-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide
CID 16826867
N'-[2-(4-fluorophenyl)ethyl]-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195687
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42065163
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42065162
N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574409
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 42065113

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide?
The IUPAC name of N-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide (CID 16826871) is N-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide?
The canonical SMILES for N-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide is O=C(CC1CCCCN1S(=O)(=O)c1cccs1)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide?
The InChIKey is ZVZMNJDWNCYEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c23-19(21-13-6-10-17-8-2-1-3-9-17)16-18-11-4-5-14-22(18)27(24,25)20-12-7-15-26-20/h1-3,7-9,12,15,18H,4-6,10-11,13-14,16H2,(H,21,23).
What are the key properties of N-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide?
N-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide has a molecular weight of 406.57 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide is sourced from PubChem (CID 16826871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).