(2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide

C18H27ClN2O3S2 — CID 95088901

IUPAC(2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C18H27ClN2O3S2/c1-13(18(22)20-15-5-3-2-4-6-15)14-9-11-21(12-10-14)26(23,24)17-8-7-16(19)25-17/h7-8,13-15H,2-6,9-12H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyILAMVQLDERDFEN-CYBMUJFWSA-N
MW419.01 g/mol
LogP3.89
Rot. Bonds5

About (2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide

(2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide (PubChem CID 95088901) has the molecular formula C18H27ClN2O3S2 and a molecular weight of 419.01 g/mol. Its IUPAC name is (2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name(2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide
PubChem CID95088901
Molecular FormulaC18H27ClN2O3S2
Molecular Weight419.01 g/mol
Exact Mass418.12
IUPAC Name(2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C18H27ClN2O3S2/c1-13(18(22)20-15-5-3-2-4-6-15)14-9-11-21(12-10-14)26(23,24)17-8-7-16(19)25-17/h7-8,13-15H,2-6,9-12H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyILAMVQLDERDFEN-CYBMUJFWSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.01
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide
CID 53119077
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide
CID 53031704
(2S)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 95088926
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-ethoxypropyl)propanamide
CID 53119071
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(2,4-dimethylphenyl)propanamide
CID 53119048
(2S)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(2,5-dimethylphenyl)propanamide
CID 95088842
N-(3-acetylphenyl)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanamide
CID 53119060
(2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 95088891
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53119096
(2S)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3,4-dimethoxyphenyl)propanamide
CID 95088792
methyl 2-[2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanoylamino]benzoate
CID 53119039
(2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 95088825

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide?
The IUPAC name of (2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide (CID 95088901) is (2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide.
What is the SMILES notation for (2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide?
The canonical SMILES for (2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide is C[C@@H](C(=O)NC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of (2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide?
The InChIKey is ILAMVQLDERDFEN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27ClN2O3S2/c1-13(18(22)20-15-5-3-2-4-6-15)14-9-11-21(12-10-14)26(23,24)17-8-7-16(19)25-17/h7-8,13-15H,2-6,9-12H2,1H3,(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide?
(2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide has a molecular weight of 419.01 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide is sourced from PubChem (CID 95088901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).