1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide

C20H31ClN2O3S — CID 55770352

IUPAC1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2c(CC)ccc(Cl)c2CC)CC1
InChIInChI=1S/C20H31ClN2O3S/c1-4-7-14-27(25,26)23-12-10-16(11-13-23)20(24)22-19-15(5-2)8-9-18(21)17(19)6-3/h8-9,16H,4-7,10-14H2,1-3H3,(H,22,24)
InChIKeyVWMVTFVFHVDTNN-UHFFFAOYSA-N
MW415.00 g/mol
LogP4.25
Rot. Bonds8

About 1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide

1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide (PubChem CID 55770352) has the molecular formula C20H31ClN2O3S and a molecular weight of 415.00 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide
PubChem CID55770352
Molecular FormulaC20H31ClN2O3S
Molecular Weight415.00 g/mol
Exact Mass414.17
IUPAC Name1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2c(CC)ccc(Cl)c2CC)CC1
InChIInChI=1S/C20H31ClN2O3S/c1-4-7-14-27(25,26)23-12-10-16(11-13-23)20(24)22-19-15(5-2)8-9-18(21)17(19)6-3/h8-9,16H,4-7,10-14H2,1-3H3,(H,22,24)
InChIKeyVWMVTFVFHVDTNN-UHFFFAOYSA-N
XLogP4.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.00
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26198432
N-(3-chloro-2,6-diethylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 30748113
N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027123
1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788014
N-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35557106
N-(3-chloro-2,6-diethylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 42999507
N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide
CID 113007849
1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 55764759
N-(6-amino-1,3-benzodioxol-5-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119618314
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007487
N-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
CID 110335478

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide (CID 55770352) is 1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)Nc2c(CC)ccc(Cl)c2CC)CC1.
What is the InChIKey of 1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide?
The InChIKey is VWMVTFVFHVDTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O3S/c1-4-7-14-27(25,26)23-12-10-16(11-13-23)20(24)22-19-15(5-2)8-9-18(21)17(19)6-3/h8-9,16H,4-7,10-14H2,1-3H3,(H,22,24).
What are the key properties of 1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide?
1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide has a molecular weight of 415.00 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55770352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).