N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide

C18H28N2O3S — CID 9414256

IUPACN-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
SMILESCCCCNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1
InChIInChI=1S/C18H28N2O3S/c1-4-5-10-19-18(21)16-6-8-17(9-7-16)24(22,23)20-12-14(2)11-15(3)13-20/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,19,21)/t14-,15-/m1/s1
InChIKeyYQEPJDFOHZIKEB-HUUCEWRRSA-N
MW352.50 g/mol
LogP2.88
Rot. Bonds6

About N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide

N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 9414256) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
PubChem CID9414256
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
SMILESCCCCNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1
InChIInChI=1S/C18H28N2O3S/c1-4-5-10-19-18(21)16-6-8-17(9-7-16)24(22,23)20-12-14(2)11-15(3)13-20/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,19,21)/t14-,15-/m1/s1
InChIKeyYQEPJDFOHZIKEB-HUUCEWRRSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 8874372
methyl 6-[[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]hexanoate
CID 9221041
methyl 6-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]hexanoate
CID 9221043
N-(3-aminobutyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 119499240
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]benzamide
CID 55811580
N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343756
N-[2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]ethyl]furan-2-carboxamide
CID 55549044
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide
CID 2623059
N-(3-butoxypropyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 46799032
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 7925561
4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide
CID 110343792
N-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55674727

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide (CID 9414256) is N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide is CCCCNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1.
What is the InChIKey of N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is YQEPJDFOHZIKEB-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-5-10-19-18(21)16-6-8-17(9-7-16)24(22,23)20-12-14(2)11-15(3)13-20/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,19,21)/t14-,15-/m1/s1.
What are the key properties of N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide?
N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 352.50 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 9414256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).