3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide

C17H20N2O3S2 — CID 1107139

IUPAC3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H20N2O3S2/c20-17(18-13-15-7-5-11-23-15)14-6-4-8-16(12-14)24(21,22)19-9-2-1-3-10-19/h4-8,11-12H,1-3,9-10,13H2,(H,18,20)
InChIKeyLSNBKUFQSKEYHQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.85
Rot. Bonds5

About 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide

3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 1107139) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID1107139
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H20N2O3S2/c20-17(18-13-15-7-5-11-23-15)14-6-4-8-16(12-14)24(21,22)19-9-2-1-3-10-19/h4-8,11-12H,1-3,9-10,13H2,(H,18,20)
InChIKeyLSNBKUFQSKEYHQ-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide (CID 1107139) is 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is LSNBKUFQSKEYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c20-17(18-13-15-7-5-11-23-15)14-6-4-8-16(12-14)24(21,22)19-9-2-1-3-10-19/h4-8,11-12H,1-3,9-10,13H2,(H,18,20).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 364.49 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 1107139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).