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

C18H22N2O3S2 — CID 4810884

IUPACN-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C18H22N2O3S2/c1-2-14-5-3-6-16(13-14)19-18(21)15-8-10-20(11-9-15)25(22,23)17-7-4-12-24-17/h3-7,12-13,15H,2,8-11H2,1H3,(H,19,21)
InChIKeyZJPIPBWEKWTHNL-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.35
Rot. Bonds5

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

N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 4810884) 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-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID4810884
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C18H22N2O3S2/c1-2-14-5-3-6-16(13-14)19-18(21)15-8-10-20(11-9-15)25(22,23)17-7-4-12-24-17/h3-7,12-13,15H,2,8-11H2,1H3,(H,19,21)
InChIKeyZJPIPBWEKWTHNL-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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Related Compounds

N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26665541
1-[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53074839
ethyl 2-chloro-4-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]benzoate
CID 28575511
N-(3,5-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7960898
(3R)-N-[3-(hydroxymethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9092353
N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26795871
N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26736509
N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810583
N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2388200
N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9259749
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26894111
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 31069432

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 4810884) is N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZJPIPBWEKWTHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-2-14-5-3-6-16(13-14)19-18(21)15-8-10-20(11-9-15)25(22,23)17-7-4-12-24-17/h3-7,12-13,15H,2,8-11H2,1H3,(H,19,21).
What are the key properties of N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-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-4-carboxamide is sourced from PubChem (CID 4810884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).