N-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide

C19H30N2O4S — CID 60568273

IUPACN-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(S(=O)(=O)c2ccc(OC)c(C)c2)C1
InChIInChI=1S/C19H30N2O4S/c1-5-6-11-20-19(22)16-8-7-15(3)21(13-16)26(23,24)17-9-10-18(25-4)14(2)12-17/h9-10,12,15-16H,5-8,11,13H2,1-4H3,(H,20,22)
InChIKeyHEGKRUTVIZIQMK-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.71
Rot. Bonds7

About N-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide

N-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide (PubChem CID 60568273) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide
PubChem CID60568273
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC NameN-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(S(=O)(=O)c2ccc(OC)c(C)c2)C1
InChIInChI=1S/C19H30N2O4S/c1-5-6-11-20-19(22)16-8-7-15(3)21(13-16)26(23,24)17-9-10-18(25-4)14(2)12-17/h9-10,12,15-16H,5-8,11,13H2,1-4H3,(H,20,22)
InChIKeyHEGKRUTVIZIQMK-UHFFFAOYSA-N
XLogP2.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
CID 40633716
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 3891100
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
N-butyl-6-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide
CID 60568174
N-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide
CID 60568240
N-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3894563
N-butyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3214843
(3S)-N-(2-methoxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302550
(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40628353
1-[4-bromo-2-(trifluoromethyl)phenyl]sulfonyl-N-butyl-6-methylpiperidine-3-carboxamide
CID 155946142
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 7457785
N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113002724

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide?
The IUPAC name of N-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide (CID 60568273) is N-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide is CCCCNC(=O)C1CCC(C)N(S(=O)(=O)c2ccc(OC)c(C)c2)C1.
What is the InChIKey of N-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide?
The InChIKey is HEGKRUTVIZIQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-5-6-11-20-19(22)16-8-7-15(3)21(13-16)26(23,24)17-9-10-18(25-4)14(2)12-17/h9-10,12,15-16H,5-8,11,13H2,1-4H3,(H,20,22).
What are the key properties of N-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide?
N-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 60568273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).