N-[(1-benzylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide

C19H26N2O2S2 — CID 16887797

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C19H26N2O2S2/c1-2-18-8-9-19(24-18)25(22,23)20-14-16-10-12-21(13-11-16)15-17-6-4-3-5-7-17/h3-9,16,20H,2,10-15H2,1H3
InChIKeyJGKSDKNAWPVCTA-UHFFFAOYSA-N
MW378.56 g/mol
LogP3.50
Rot. Bonds7

About N-[(1-benzylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide

N-[(1-benzylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 16887797) has the molecular formula C19H26N2O2S2 and a molecular weight of 378.56 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide
PubChem CID16887797
Molecular FormulaC19H26N2O2S2
Molecular Weight378.56 g/mol
Exact Mass378.14
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C19H26N2O2S2/c1-2-18-8-9-19(24-18)25(22,23)20-14-16-10-12-21(13-11-16)15-17-6-4-3-5-7-17/h3-9,16,20H,2,10-15H2,1H3
InChIKeyJGKSDKNAWPVCTA-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide (CID 16887797) is N-[(1-benzylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is JGKSDKNAWPVCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S2/c1-2-18-8-9-19(24-18)25(22,23)20-14-16-10-12-21(13-11-16)15-17-6-4-3-5-7-17/h3-9,16,20H,2,10-15H2,1H3.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide?
N-[(1-benzylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 378.56 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 16887797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).