N-(4-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C18H22N2O3S2 — CID 22429399

IUPACN-(4-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-2-14-7-9-16(10-8-14)19-18(21)15-5-3-11-20(13-15)25(22,23)17-6-4-12-24-17/h4,6-10,12,15H,2-3,5,11,13H2,1H3,(H,19,21)
InChIKeyUPGUKAAQJCHYIR-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.35
Rot. Bonds5

About N-(4-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(4-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 22429399) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID22429399
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(4-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-2-14-7-9-16(10-8-14)19-18(21)15-5-3-11-20(13-15)25(22,23)17-6-4-12-24-17/h4,6-10,12,15H,2-3,5,11,13H2,1H3,(H,19,21)
InChIKeyUPGUKAAQJCHYIR-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 22429399) is N-(4-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is UPGUKAAQJCHYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-2-14-7-9-16(10-8-14)19-18(21)15-5-3-11-20(13-15)25(22,23)17-6-4-12-24-17/h4,6-10,12,15H,2-3,5,11,13H2,1H3,(H,19,21).
What are the key properties of N-(4-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(4-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 22429399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).