2-fluoro-5-(3-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide

C18H21FN2O3S2 — CID 20967218

IUPAC2-fluoro-5-(3-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)NCc3cccs3)c2)C1
InChIInChI=1S/C18H21FN2O3S2/c1-13-4-2-8-21(12-13)26(23,24)15-6-7-17(19)16(10-15)18(22)20-11-14-5-3-9-25-14/h3,5-7,9-10,13H,2,4,8,11-12H2,1H3,(H,20,22)
InChIKeyYFMMJFWMKCCWJF-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.24
Rot. Bonds5

About 2-fluoro-5-(3-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide

2-fluoro-5-(3-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 20967218) has the molecular formula C18H21FN2O3S2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-fluoro-5-(3-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(3-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID20967218
Molecular FormulaC18H21FN2O3S2
Molecular Weight396.51 g/mol
Exact Mass396.10
IUPAC Name2-fluoro-5-(3-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)NCc3cccs3)c2)C1
InChIInChI=1S/C18H21FN2O3S2/c1-13-4-2-8-21(12-13)26(23,24)15-6-7-17(19)16(10-15)18(22)20-11-14-5-3-9-25-14/h3,5-7,9-10,13H,2,4,8,11-12H2,1H3,(H,20,22)
InChIKeyYFMMJFWMKCCWJF-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(3-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-5-(3-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide (CID 20967218) is 2-fluoro-5-(3-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-(3-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-5-(3-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide is CC1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)NCc3cccs3)c2)C1.
What is the InChIKey of 2-fluoro-5-(3-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is YFMMJFWMKCCWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S2/c1-13-4-2-8-21(12-13)26(23,24)15-6-7-17(19)16(10-15)18(22)20-11-14-5-3-9-25-14/h3,5-7,9-10,13H,2,4,8,11-12H2,1H3,(H,20,22).
What are the key properties of 2-fluoro-5-(3-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
2-fluoro-5-(3-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 396.51 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(3-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 20967218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).