1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide

C20H32N2O3S — CID 86870457

IUPAC1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC)CC)CC2)cc1
InChIInChI=1S/C20H32N2O3S/c1-5-16(4)17-8-10-19(11-9-17)26(24,25)22-14-12-18(13-15-22)20(23)21(6-2)7-3/h8-11,16,18H,5-7,12-15H2,1-4H3
InChIKeySRRUWQVQWICHKX-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.47
Rot. Bonds7

About 1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide

1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide (PubChem CID 86870457) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide
PubChem CID86870457
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC Name1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC)CC)CC2)cc1
InChIInChI=1S/C20H32N2O3S/c1-5-16(4)17-8-10-19(11-9-17)26(24,25)22-14-12-18(13-15-22)20(23)21(6-2)7-3/h8-11,16,18H,5-7,12-15H2,1-4H3
InChIKeySRRUWQVQWICHKX-UHFFFAOYSA-N
XLogP3.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1090954
1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol
CID 62917135
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 7944162
[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963645
N-ethyl-1-(4-methylphenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide
CID 46554998
N-[[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990196
1-(1,3-benzodioxol-5-ylsulfonyl)-N,N-diethylpiperidine-4-carboxamide
CID 113005310
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 51224909
N-[1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 40952437
N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 134006146

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide (CID 86870457) is 1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide is CCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC)CC)CC2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide?
The InChIKey is SRRUWQVQWICHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-5-16(4)17-8-10-19(11-9-17)26(24,25)22-14-12-18(13-15-22)20(23)21(6-2)7-3/h8-11,16,18H,5-7,12-15H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide?
1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide has a molecular weight of 380.55 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide is sourced from PubChem (CID 86870457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).