N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide

C18H28N2O5S — CID 113002717

IUPACN-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2OC)CC1
InChIInChI=1S/C18H28N2O5S/c1-4-5-10-19-18(21)14-8-11-20(12-9-14)26(22,23)17-7-6-15(24-2)13-16(17)25-3/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,19,21)
InChIKeyGENWRHKLKJRISE-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.02
Rot. Bonds8

About N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide

N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 113002717) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID113002717
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC NameN-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2OC)CC1
InChIInChI=1S/C18H28N2O5S/c1-4-5-10-19-18(21)14-8-11-20(12-9-14)26(22,23)17-7-6-15(24-2)13-16(17)25-3/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,19,21)
InChIKeyGENWRHKLKJRISE-UHFFFAOYSA-N
XLogP2.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 113005630
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
N-cyclopentyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113003005
N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003254
1-(2,4-dimethoxyphenyl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
CID 110350848
[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605335
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808
1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 27256239
N-cyclopropyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1093344
N-[3-(4-methoxyphenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100656350
methyl 2-[4-(hexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 43007840

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 113002717) is N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2OC)CC1.
What is the InChIKey of N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is GENWRHKLKJRISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-4-5-10-19-18(21)14-8-11-20(12-9-14)26(22,23)17-7-6-15(24-2)13-16(17)25-3/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,19,21).
What are the key properties of N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 113002717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).