1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide

C19H22N2O4S — CID 69259861

IUPAC1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCc1ccccc1Oc1cccc(S(=O)(=O)N2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-6-2-3-10-18(14)25-16-8-4-9-17(12-16)26(23,24)21-11-5-7-15(13-21)19(20)22/h2-4,6,8-10,12,15H,5,7,11,13H2,1H3,(H2,20,22)
InChIKeyHAVJNJHYBRPHHW-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.67
Rot. Bonds5

About 1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide

1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 69259861) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide
PubChem CID69259861
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCc1ccccc1Oc1cccc(S(=O)(=O)N2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-6-2-3-10-18(14)25-16-8-4-9-17(12-16)26(23,24)21-11-5-7-15(13-21)19(20)22/h2-4,6,8-10,12,15H,5,7,11,13H2,1H3,(H2,20,22)
InChIKeyHAVJNJHYBRPHHW-UHFFFAOYSA-N
XLogP2.67
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide
CID 72992124
1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2985818
(3S)-N-cyclohexyl-1-(3-phenoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11619138
(3S)-N-cyclohexyl-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11531019
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide
CID 43257281
[1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone
CID 110394558
(3R)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976116
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976117
(3S)-1-[3-(azepan-1-ylsulfonyl)benzoyl]piperidine-3-carboxamide
CID 9395607
ethyl (3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 81307363

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide (CID 69259861) is 1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide is Cc1ccccc1Oc1cccc(S(=O)(=O)N2CCCC(C(N)=O)C2)c1.
What is the InChIKey of 1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is HAVJNJHYBRPHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-6-2-3-10-18(14)25-16-8-4-9-17(12-16)26(23,24)21-11-5-7-15(13-21)19(20)22/h2-4,6,8-10,12,15H,5,7,11,13H2,1H3,(H2,20,22).
What are the key properties of 1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide?
1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 69259861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).