N-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

C21H27N3O5S — CID 5307299

IUPACN-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c1
InChIInChI=1S/C21H27N3O5S/c1-3-28-17-9-10-20(29-4-2)19(13-17)23-21(25)16-7-6-12-24(15-16)30(26,27)18-8-5-11-22-14-18/h5,8-11,13-14,16H,3-4,6-7,12,15H2,1-2H3,(H,23,25)
InChIKeyCUZPMTJYXQABDK-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.92
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

N-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (PubChem CID 5307299) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
PubChem CID5307299
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c1
InChIInChI=1S/C21H27N3O5S/c1-3-28-17-9-10-20(29-4-2)19(13-17)23-21(25)16-7-6-12-24(15-16)30(26,27)18-8-5-11-22-14-18/h5,8-11,13-14,16H,3-4,6-7,12,15H2,1-2H3,(H,23,25)
InChIKeyCUZPMTJYXQABDK-UHFFFAOYSA-N
XLogP2.92
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39909181
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 3162887
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 6495112
N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55678773
(3R)-N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1075960
(3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068918
1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 24624366
(3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 92897300
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 126397672
N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851619
N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (CID 5307299) is N-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is CUZPMTJYXQABDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-3-28-17-9-10-20(29-4-2)19(13-17)23-21(25)16-7-6-12-24(15-16)30(26,27)18-8-5-11-22-14-18/h5,8-11,13-14,16H,3-4,6-7,12,15H2,1-2H3,(H,23,25).
What are the key properties of N-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
N-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5307299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).