N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

C25H33N3O4S — CID 154834956

IUPACN-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCCc4[nH]c(=O)ccc43)CC2)c1C
InChIInChI=1S/C25H33N3O4S/c1-15-14-16(2)18(4)24(17(15)3)33(31,32)28-12-10-19(11-13-28)25(30)27-22-7-5-6-21-20(22)8-9-23(29)26-21/h8-9,14,19,22H,5-7,10-13H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyOPDCHNVARKMIHH-UHFFFAOYSA-N
MW471.62 g/mol
LogP3.20
Rot. Bonds4

About N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 154834956) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID154834956
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC NameN-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCCc4[nH]c(=O)ccc43)CC2)c1C
InChIInChI=1S/C25H33N3O4S/c1-15-14-16(2)18(4)24(17(15)3)33(31,32)28-12-10-19(11-13-28)25(30)27-22-7-5-6-21-20(22)8-9-23(29)26-21/h8-9,14,19,22H,5-7,10-13H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyOPDCHNVARKMIHH-UHFFFAOYSA-N
XLogP3.20
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26131040
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 7092142
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
N-[3-(methylamino)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119430053
1-(4-methoxyphenyl)sulfonyl-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 100657012
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 4831564
N-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26443164
1-(4-fluorophenyl)sulfonyl-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 100653363
N-(3-aminopropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119405340
N-(2-methyl-4-pyridinyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 112803594
N-[(2S)-4-phenylbutan-2-yl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26290785
N-[2-(ethylamino)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119505200

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (CID 154834956) is N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCCc4[nH]c(=O)ccc43)CC2)c1C.
What is the InChIKey of N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is OPDCHNVARKMIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-15-14-16(2)18(4)24(17(15)3)33(31,32)28-12-10-19(11-13-28)25(30)27-22-7-5-6-21-20(22)8-9-23(29)26-21/h8-9,14,19,22H,5-7,10-13H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 471.62 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 154834956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).