N-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide

C18H28N2O3S2 — CID 86861131

IUPACN-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
SMILESCCc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)s1
InChIInChI=1S/C18H28N2O3S2/c1-2-16-8-9-17(24-16)25(22,23)20-12-10-15(11-13-20)19-18(21)14-6-4-3-5-7-14/h8-9,14-15H,2-7,10-13H2,1H3,(H,19,21)
InChIKeyYWIRCCYNQRSDJU-UHFFFAOYSA-N
MW384.57 g/mol
LogP3.16
Rot. Bonds5

About N-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide

N-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide (PubChem CID 86861131) has the molecular formula C18H28N2O3S2 and a molecular weight of 384.57 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
PubChem CID86861131
Molecular FormulaC18H28N2O3S2
Molecular Weight384.57 g/mol
Exact Mass384.15
IUPAC NameN-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
SMILESCCc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)s1
InChIInChI=1S/C18H28N2O3S2/c1-2-16-8-9-17(24-16)25(22,23)20-12-10-15(11-13-20)19-18(21)14-6-4-3-5-7-14/h8-9,14-15H,2-7,10-13H2,1H3,(H,19,21)
InChIKeyYWIRCCYNQRSDJU-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 113002574
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide
CID 106266502
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006158
N-(2-aminoethyl)-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 119971441
N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 108559574
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide
CID 127470974
4-N-cycloheptyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide
CID 46379822
1-[1-(5-ethylthiophen-2-yl)sulfonylazepan-2-yl]propan-2-one
CID 79541588
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 108559576
(3S,4S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135091674

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide (CID 86861131) is N-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide is CCc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is YWIRCCYNQRSDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S2/c1-2-16-8-9-17(24-16)25(22,23)20-12-10-15(11-13-20)19-18(21)14-6-4-3-5-7-14/h8-9,14-15H,2-7,10-13H2,1H3,(H,19,21).
What are the key properties of N-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
N-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 384.57 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 86861131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).