N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide

C20H26N2O3S2 — CID 55452056

IUPACN-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(c1cccs1)N(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-16(19-7-6-14-26-19)21(2)20(23)15-17-8-10-18(11-9-17)27(24,25)22-12-4-3-5-13-22/h6-11,14,16H,3-5,12-13,15H2,1-2H3
InChIKeyVLSYJXMDGYKMNT-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.68
Rot. Bonds6

About N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide

N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 55452056) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID55452056
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(c1cccs1)N(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-16(19-7-6-14-26-19)21(2)20(23)15-17-8-10-18(11-9-17)27(24,25)22-12-4-3-5-13-22/h6-11,14,16H,3-5,12-13,15H2,1-2H3
InChIKeyVLSYJXMDGYKMNT-UHFFFAOYSA-N
XLogP3.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-piperidin-1-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
CID 24552647
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55551698
N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55372961
N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 107025959
N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51147794
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone
CID 55470701
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 55931237
N-benzyl-N-cyclopropyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 46420855
(3R)-3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-thiophen-2-ylpropanamide
CID 26062626
3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
CID 43006531
N-[(2R,4S)-4-hydroxypentan-2-yl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 97350505
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 30125667

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide (CID 55452056) is N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide is CC(c1cccs1)N(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is VLSYJXMDGYKMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-16(19-7-6-14-26-19)21(2)20(23)15-17-8-10-18(11-9-17)27(24,25)22-12-4-3-5-13-22/h6-11,14,16H,3-5,12-13,15H2,1-2H3.
What are the key properties of N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide?
N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 406.57 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 55452056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).