N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

C18H21FN2O3S2 — CID 34741191

IUPACN-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c(F)c1
InChIInChI=1S/C18H21FN2O3S2/c1-13-5-7-16(15(19)11-13)20-17(22)12-14-6-8-18(25-14)26(23,24)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,22)
InChIKeyXNMXVLUZVZHWGW-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.55
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 34741191) has the molecular formula C18H21FN2O3S2 and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID34741191
Molecular FormulaC18H21FN2O3S2
Molecular Weight396.51 g/mol
Exact Mass396.10
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c(F)c1
InChIInChI=1S/C18H21FN2O3S2/c1-13-5-7-16(15(19)11-13)20-17(22)12-14-6-8-18(25-14)26(23,24)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,22)
InChIKeyXNMXVLUZVZHWGW-UHFFFAOYSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 34741191) is N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is XNMXVLUZVZHWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S2/c1-13-5-7-16(15(19)11-13)20-17(22)12-14-6-8-18(25-14)26(23,24)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 396.51 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 34741191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).