N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

C22H34N2O4S — CID 78855666

IUPACN-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESCCCCN(CCO)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C22H34N2O4S/c1-2-3-12-23(15-16-25)22(26)19-10-13-24(14-11-19)29(27,28)21-9-8-18-6-4-5-7-20(18)17-21/h8-9,17,19,25H,2-7,10-16H2,1H3
InChIKeyFJUZKFROIWHDQG-UHFFFAOYSA-N
MW422.59 g/mol
LogP2.59
Rot. Bonds8

About N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 78855666) has the molecular formula C22H34N2O4S and a molecular weight of 422.59 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
PubChem CID78855666
Molecular FormulaC22H34N2O4S
Molecular Weight422.59 g/mol
Exact Mass422.22
IUPAC NameN-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESCCCCN(CCO)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C22H34N2O4S/c1-2-3-12-23(15-16-25)22(26)19-10-13-24(14-11-19)29(27,28)21-9-8-18-6-4-5-7-20(18)17-21/h8-9,17,19,25H,2-7,10-16H2,1H3
InChIKeyFJUZKFROIWHDQG-UHFFFAOYSA-N
XLogP2.59
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide
CID 43020408
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 78803580
N-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 78855696
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55720513
N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 27739638
N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 55661720
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 17407991
N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 119502196
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylsulfonylpiperidine-4-carboxamide
CID 146154894
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 25358979
azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
CID 30855869
(4-hydroxypiperidin-1-yl)-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanone
CID 134014817

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (CID 78855666) is N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is CCCCN(CCO)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is FJUZKFROIWHDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4S/c1-2-3-12-23(15-16-25)22(26)19-10-13-24(14-11-19)29(27,28)21-9-8-18-6-4-5-7-20(18)17-21/h8-9,17,19,25H,2-7,10-16H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 422.59 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 78855666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).