N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide

C23H25N3O4S — CID 20903565

IUPACN-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)C2)cc1
InChIInChI=1S/C23H25N3O4S/c1-16-4-6-17(7-5-16)14-24-23(28)19-3-2-12-26(15-19)31(29,30)20-9-10-21-18(13-20)8-11-22(27)25-21/h4-11,13,19H,2-3,12,14-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyMFYOKYYBNQHWRW-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.55
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide

N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 20903565) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID20903565
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)C2)cc1
InChIInChI=1S/C23H25N3O4S/c1-16-4-6-17(7-5-16)14-24-23(28)19-3-2-12-26(15-19)31(29,30)20-9-10-21-18(13-20)8-11-22(27)25-21/h4-11,13,19H,2-3,12,14-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyMFYOKYYBNQHWRW-UHFFFAOYSA-N
XLogP2.55
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903556
1-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 2978458
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 2234236
(3R)-1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1081586
N-(3,5-dimethoxyphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903559
N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 3242642
(3R)-1-ethylsulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 40515569
N-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903574
N-[(4-ethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168008
(3R)-1-naphthalen-2-ylsulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 28562145
(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861855
N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3244935

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide (CID 20903565) is N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is MFYOKYYBNQHWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-16-4-6-17(7-5-16)14-24-23(28)19-3-2-12-26(15-19)31(29,30)20-9-10-21-18(13-20)8-11-22(27)25-21/h4-11,13,19H,2-3,12,14-15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide?
N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 20903565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).