1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide

C20H21BrN2O4S — CID 20881524

IUPAC1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2=CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C20H21BrN2O4S/c1-27-18-6-2-15(3-7-18)14-22-20(24)16-10-12-23(13-11-16)28(25,26)19-8-4-17(21)5-9-19/h2-10H,11-14H2,1H3,(H,22,24)
InChIKeyYAFYSKIXZQQTJE-UHFFFAOYSA-N
MW465.37 g/mol
LogP3.09
Rot. Bonds6

About 1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide

1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 20881524) has the molecular formula C20H21BrN2O4S and a molecular weight of 465.37 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID20881524
Molecular FormulaC20H21BrN2O4S
Molecular Weight465.37 g/mol
Exact Mass464.04
IUPAC Name1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2=CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C20H21BrN2O4S/c1-27-18-6-2-15(3-7-18)14-22-20(24)16-10-12-23(13-11-16)28(25,26)19-8-4-17(21)5-9-19/h2-10H,11-14H2,1H3,(H,22,24)
InChIKeyYAFYSKIXZQQTJE-UHFFFAOYSA-N
XLogP3.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20881517
N-cyclopentyl-1-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20881502
ethyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 130205049
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 4815524
5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 3593665
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111181910
3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108759230
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827
1-(4-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999342
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53205292

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 20881524) is 1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide is COc1ccc(CNC(=O)C2=CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is YAFYSKIXZQQTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O4S/c1-27-18-6-2-15(3-7-18)14-22-20(24)16-10-12-23(13-11-16)28(25,26)19-8-4-17(21)5-9-19/h2-10H,11-14H2,1H3,(H,22,24).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 465.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 20881524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).