(E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide

C16H21FN2O3S — CID 75408342

IUPAC(E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)C/C=C/c2ccccc2F)C1
InChIInChI=1S/C16H21FN2O3S/c1-23(21,22)19-11-5-8-14(12-19)18-16(20)10-4-7-13-6-2-3-9-15(13)17/h2-4,6-7,9,14H,5,8,10-12H2,1H3,(H,18,20)/b7-4+
InChIKeyDJQJRUQLOKODRL-QPJJXVBHSA-N
MW340.42 g/mol
LogP1.77
Rot. Bonds5

About (E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide

(E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide (PubChem CID 75408342) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is (E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide.

Molecular Properties

Compound Name(E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide
PubChem CID75408342
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name(E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)C/C=C/c2ccccc2F)C1
InChIInChI=1S/C16H21FN2O3S/c1-23(21,22)19-11-5-8-14(12-19)18-16(20)10-4-7-13-6-2-3-9-15(13)17/h2-4,6-7,9,14H,5,8,10-12H2,1H3,(H,18,20)/b7-4+
InChIKeyDJQJRUQLOKODRL-QPJJXVBHSA-N
XLogP1.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 47908630
N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 47941634
2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47403795
2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47909972
N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 47910347
N-[4-[(1-methylsulfonylpiperidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 47909584
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47910189
5-bromo-2-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47909698
3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide
CID 47910340
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 110714979
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide?
The IUPAC name of (E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide (CID 75408342) is (E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide.
What is the SMILES notation for (E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide?
The canonical SMILES for (E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide is CS(=O)(=O)N1CCCC(NC(=O)C/C=C/c2ccccc2F)C1.
What is the InChIKey of (E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide?
The InChIKey is DJQJRUQLOKODRL-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-23(21,22)19-11-5-8-14(12-19)18-16(20)10-4-7-13-6-2-3-9-15(13)17/h2-4,6-7,9,14H,5,8,10-12H2,1H3,(H,18,20)/b7-4+.
What are the key properties of (E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide?
(E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide has a molecular weight of 340.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide is sourced from PubChem (CID 75408342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).