2-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide

C19H26N2O2S2 — CID 16888303

IUPAC2-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C19H26N2O2S2/c22-25(23,14-10-17-5-2-1-3-6-17)20-15-18-8-11-21(12-9-18)16-19-7-4-13-24-19/h1-7,13,18,20H,8-12,14-16H2
InChIKeyPJCXWXDEDFFBKA-UHFFFAOYSA-N
MW378.56 g/mol
LogP3.12
Rot. Bonds8

About 2-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide

2-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide (PubChem CID 16888303) has the molecular formula C19H26N2O2S2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 2-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide
PubChem CID16888303
Molecular FormulaC19H26N2O2S2
Molecular Weight378.56 g/mol
Exact Mass378.14
IUPAC Name2-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C19H26N2O2S2/c22-25(23,14-10-17-5-2-1-3-6-17)20-15-18-8-11-21(12-9-18)16-19-7-4-13-24-19/h1-7,13,18,20H,8-12,14-16H2
InChIKeyPJCXWXDEDFFBKA-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide?
The IUPAC name of 2-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide (CID 16888303) is 2-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide is O=S(=O)(CCc1ccccc1)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide?
The InChIKey is PJCXWXDEDFFBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S2/c22-25(23,14-10-17-5-2-1-3-6-17)20-15-18-8-11-21(12-9-18)16-19-7-4-13-24-19/h1-7,13,18,20H,8-12,14-16H2.
What are the key properties of 2-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide?
2-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide has a molecular weight of 378.56 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 16888303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).