1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide

C23H27N3O4S — CID 24506314

IUPAC1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1
InChIInChI=1S/C23H27N3O4S/c1-18-6-5-8-21(16-18)30-15-14-25(2)23(27)19-10-12-26(13-11-19)31(28,29)22-9-4-3-7-20(22)17-24/h3-9,16,19H,10-15H2,1-2H3
InChIKeyHLGVVVQNBXEIDS-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.80
Rot. Bonds7

About 1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide

1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 24506314) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
PubChem CID24506314
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1
InChIInChI=1S/C23H27N3O4S/c1-18-6-5-8-21(16-18)30-15-14-25(2)23(27)19-10-12-26(13-11-19)31(28,29)22-9-4-3-7-20(22)17-24/h3-9,16,19H,10-15H2,1-2H3
InChIKeyHLGVVVQNBXEIDS-UHFFFAOYSA-N
XLogP2.80
TPSA90.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(2-phenoxyethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27740937
1-(2-cyanophenyl)sulfonyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 27861422
2-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzonitrile
CID 110638544
1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 24503398
N-methyl-N-(2-phenoxyethyl)-1-sulfamoylpiperidine-4-carboxamide
CID 39912164
N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 27447023
1-(4-chlorophenyl)sulfonyl-N-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 2470101
1-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 41464719
2-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 8559446
1-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 27795592
1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
CID 27040123
N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 55594937

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide (CID 24506314) is 1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide is Cc1cccc(OCCN(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1.
What is the InChIKey of 1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is HLGVVVQNBXEIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-18-6-5-8-21(16-18)30-15-14-25(2)23(27)19-10-12-26(13-11-19)31(28,29)22-9-4-3-7-20(22)17-24/h3-9,16,19H,10-15H2,1-2H3.
What are the key properties of 1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide?
1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 24506314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).