3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide

C18H22N2O3S2 — CID 653928

IUPAC3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)CC1
InChIInChI=1S/C18H22N2O3S2/c1-14-7-9-20(10-8-14)25(22,23)17-6-2-4-15(12-17)18(21)19-13-16-5-3-11-24-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,19,21)
InChIKeyPNDAQSVIMKDOCB-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.10
Rot. Bonds5

About 3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide

3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 653928) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID653928
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)CC1
InChIInChI=1S/C18H22N2O3S2/c1-14-7-9-20(10-8-14)25(22,23)17-6-2-4-15(12-17)18(21)19-13-16-5-3-11-24-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,19,21)
InChIKeyPNDAQSVIMKDOCB-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide (CID 653928) is 3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide is CC1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is PNDAQSVIMKDOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-14-7-9-20(10-8-14)25(22,23)17-6-2-4-15(12-17)18(21)19-13-16-5-3-11-24-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,19,21).
What are the key properties of 3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 378.52 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 653928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).