N-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide

C20H32N2O4S — CID 78855696

IUPACN-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESCCCCN(CCO)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C20H32N2O4S/c1-4-5-10-21(13-14-23)20(24)18-8-11-22(12-9-18)27(25,26)19-7-6-16(2)15-17(19)3/h6-7,15,18,23H,4-5,8-14H2,1-3H3
InChIKeyBNEGRKJUXOSYMX-UHFFFAOYSA-N
MW396.55 g/mol
LogP2.33
Rot. Bonds8

About N-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide

N-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide (PubChem CID 78855696) has the molecular formula C20H32N2O4S and a molecular weight of 396.55 g/mol. Its IUPAC name is N-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
PubChem CID78855696
Molecular FormulaC20H32N2O4S
Molecular Weight396.55 g/mol
Exact Mass396.21
IUPAC NameN-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESCCCCN(CCO)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C20H32N2O4S/c1-4-5-10-21(13-14-23)20(24)18-8-11-22(12-9-18)27(25,26)19-7-6-16(2)15-17(19)3/h6-7,15,18,23H,4-5,8-14H2,1-3H3
InChIKeyBNEGRKJUXOSYMX-UHFFFAOYSA-N
XLogP2.33
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 78855666
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808
N-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119665925
1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone
CID 162013524
1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylethanone
CID 157316860
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119505936
N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 78856093
N-[[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990508
N-(1-amino-2-methylpropan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119522375
4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782975
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
N-(dicyclopropylmethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24620701

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide (CID 78855696) is N-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide is CCCCN(CCO)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of N-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The InChIKey is BNEGRKJUXOSYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S/c1-4-5-10-21(13-14-23)20(24)18-8-11-22(12-9-18)27(25,26)19-7-6-16(2)15-17(19)3/h6-7,15,18,23H,4-5,8-14H2,1-3H3.
What are the key properties of N-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide?
N-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide has a molecular weight of 396.55 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 78855696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).