2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide

C19H21F3N2O4S2 — CID 46553053

IUPAC2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C19H21F3N2O4S2/c20-19(21,22)13-28-16-7-3-2-6-15(16)23-17(25)12-14-8-9-18(29-14)30(26,27)24-10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-13H2,(H,23,25)
InChIKeyVGSBMOYERJPTLG-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.05
Rot. Bonds7

About 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide

2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 46553053) has the molecular formula C19H21F3N2O4S2 and a molecular weight of 462.52 g/mol. Its IUPAC name is 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID46553053
Molecular FormulaC19H21F3N2O4S2
Molecular Weight462.52 g/mol
Exact Mass462.09
IUPAC Name2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C19H21F3N2O4S2/c20-19(21,22)13-28-16-7-3-2-6-15(16)23-17(25)12-14-8-9-18(29-14)30(26,27)24-10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-13H2,(H,23,25)
InChIKeyVGSBMOYERJPTLG-UHFFFAOYSA-N
XLogP4.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 31801318
N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37133311
N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 35535192
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 26087846
N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55888632
N-[4-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 33274811
N-(2-butoxy-5-methoxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 35366410
N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 34741191
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55908008
N-(6-amino-3-pyridinyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119515991
N-(3-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 78783462
N-(2-ethylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 8839489

Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 46553053) is 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccccc1OCC(F)(F)F.
What is the InChIKey of 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is VGSBMOYERJPTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4S2/c20-19(21,22)13-28-16-7-3-2-6-15(16)23-17(25)12-14-8-9-18(29-14)30(26,27)24-10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-13H2,(H,23,25).
What are the key properties of 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 462.52 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 46553053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).