N-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C23H29BrN2O3S — CID 100795683

IUPACN-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H29BrN2O3S/c1-4-17-14-20(24)15-18(5-2)22(17)25-23(27)19-10-12-26(13-11-19)30(28,29)21-8-6-16(3)7-9-21/h6-9,14-15,19H,4-5,10-13H2,1-3H3,(H,25,27)
InChIKeyCVVQCSCKHVHJMM-UHFFFAOYSA-N
MW493.47 g/mol
LogP4.92
Rot. Bonds6

About N-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 100795683) has the molecular formula C23H29BrN2O3S and a molecular weight of 493.47 g/mol. Its IUPAC name is N-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID100795683
Molecular FormulaC23H29BrN2O3S
Molecular Weight493.47 g/mol
Exact Mass492.11
IUPAC NameN-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H29BrN2O3S/c1-4-17-14-20(24)15-18(5-2)22(17)25-23(27)19-10-12-26(13-11-19)30(28,29)21-8-6-16(3)7-9-21/h6-9,14-15,19H,4-5,10-13H2,1-3H3,(H,25,27)
InChIKeyCVVQCSCKHVHJMM-UHFFFAOYSA-N
XLogP4.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100795631
N-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 100795824
1-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 1077687
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 1327310
(3S)-N-(4-bromo-2-ethyl-6-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100801219
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
(3R)-N-(4-bromo-2,6-diethylphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 100796142
N-(3,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24639594
N-[(2,4-dimethylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55583735
1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87032919
N-(2-ethyl-6-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 40633565

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 100795683) is N-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is CCc1cc(Br)cc(CC)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is CVVQCSCKHVHJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O3S/c1-4-17-14-20(24)15-18(5-2)22(17)25-23(27)19-10-12-26(13-11-19)30(28,29)21-8-6-16(3)7-9-21/h6-9,14-15,19H,4-5,10-13H2,1-3H3,(H,25,27).
What are the key properties of N-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 493.47 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 100795683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).