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

C18H22N2O3S2 — CID 15989410

IUPACN-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1
InChIInChI=1S/C18H22N2O3S2/c1-2-14-6-3-8-16(12-14)19-18(21)15-7-4-10-20(13-15)25(22,23)17-9-5-11-24-17/h3,5-6,8-9,11-12,15H,2,4,7,10,13H2,1H3,(H,19,21)
InChIKeyRPVJOFUOUDWRGV-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.35
Rot. Bonds5

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

N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 15989410) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID15989410
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1
InChIInChI=1S/C18H22N2O3S2/c1-2-14-6-3-8-16(12-14)19-18(21)15-7-4-10-20(13-15)25(22,23)17-9-5-11-24-17/h3,5-6,8-9,11-12,15H,2,4,7,10,13H2,1H3,(H,19,21)
InChIKeyRPVJOFUOUDWRGV-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-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 15989410) is N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CCc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is RPVJOFUOUDWRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-2-14-6-3-8-16(12-14)19-18(21)15-7-4-10-20(13-15)25(22,23)17-9-5-11-24-17/h3,5-6,8-9,11-12,15H,2,4,7,10,13H2,1H3,(H,19,21).
What are the key properties of N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(3-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-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 15989410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).