(2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide

C20H23BrN2O3S — CID 92887782

IUPAC(2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide
SMILESCCc1cccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C20H23BrN2O3S/c1-2-15-6-5-7-17(14-15)22-20(24)19-8-3-4-13-23(19)27(25,26)18-11-9-16(21)10-12-18/h5-7,9-12,14,19H,2-4,8,13H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyXKYKKTMENCBAQC-LJQANCHMSA-N
MW451.39 g/mol
LogP4.19
Rot. Bonds5

About (2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide

(2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide (PubChem CID 92887782) has the molecular formula C20H23BrN2O3S and a molecular weight of 451.39 g/mol. Its IUPAC name is (2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide
PubChem CID92887782
Molecular FormulaC20H23BrN2O3S
Molecular Weight451.39 g/mol
Exact Mass450.06
IUPAC Name(2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide
SMILESCCc1cccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C20H23BrN2O3S/c1-2-15-6-5-7-17(14-15)22-20(24)19-8-3-4-13-23(19)27(25,26)18-11-9-16(21)10-12-18/h5-7,9-12,14,19H,2-4,8,13H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyXKYKKTMENCBAQC-LJQANCHMSA-N
XLogP4.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 24617132
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865547
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
2-[3-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 119351880
(2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8760667
[2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 42978014
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethylphenyl)pyrrolidine-2-carboxamide
CID 17415195
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-2-carboxamide
CID 92887761
1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 55335097
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 92887679
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 1487032

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide (CID 92887782) is (2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide is CCc1cccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of (2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide?
The InChIKey is XKYKKTMENCBAQC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23BrN2O3S/c1-2-15-6-5-7-17(14-15)22-20(24)19-8-3-4-13-23(19)27(25,26)18-11-9-16(21)10-12-18/h5-7,9-12,14,19H,2-4,8,13H2,1H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide?
(2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide has a molecular weight of 451.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 92887782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).