N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

C22H30FN3O3S2 — CID 55980282

IUPACN-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(C)CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C22H30FN3O3S2/c1-24(2)14-15-25(17-18-6-8-19(23)9-7-18)21(27)16-20-10-11-22(30-20)31(28,29)26-12-4-3-5-13-26/h6-11H,3-5,12-17H2,1-2H3
InChIKeyXEBILPNFASYGSK-UHFFFAOYSA-N
MW467.63 g/mol
LogP3.19
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 55980282) has the molecular formula C22H30FN3O3S2 and a molecular weight of 467.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID55980282
Molecular FormulaC22H30FN3O3S2
Molecular Weight467.63 g/mol
Exact Mass467.17
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(C)CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C22H30FN3O3S2/c1-24(2)14-15-25(17-18-6-8-19(23)9-7-18)21(27)16-20-10-11-22(30-20)31(28,29)26-12-4-3-5-13-26/h6-11H,3-5,12-17H2,1-2H3
InChIKeyXEBILPNFASYGSK-UHFFFAOYSA-N
XLogP3.19
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.63
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 31821793
N-[(4-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide
CID 55918847
N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 47097885
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55390614
2-[methyl-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]propanoic acid
CID 119208948
N-cyclohexyl-N-cyclopropyl-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 47024589
2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-4-fluorobenzamide
CID 53112444
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-(4-methylphenyl)acetamide
CID 53112471
N-[(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 26119177
4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17436138
N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 34741191

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 55980282) is N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is CN(C)CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is XEBILPNFASYGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O3S2/c1-24(2)14-15-25(17-18-6-8-19(23)9-7-18)21(27)16-20-10-11-22(30-20)31(28,29)26-12-4-3-5-13-26/h6-11H,3-5,12-17H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 467.63 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 55980282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).