N-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide

C21H29N3O3S — CID 60568240

IUPACN-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(S(=O)(=O)c2ccc(C)c3ncccc23)C1
InChIInChI=1S/C21H29N3O3S/c1-4-5-12-23-21(25)17-10-9-16(3)24(14-17)28(26,27)19-11-8-15(2)20-18(19)7-6-13-22-20/h6-8,11,13,16-17H,4-5,9-10,12,14H2,1-3H3,(H,23,25)
InChIKeyYFUKDMMMSZDLKH-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.25
Rot. Bonds6

About N-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide

N-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 60568240) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide
PubChem CID60568240
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(S(=O)(=O)c2ccc(C)c3ncccc23)C1
InChIInChI=1S/C21H29N3O3S/c1-4-5-12-23-21(25)17-10-9-16(3)24(14-17)28(26,27)19-11-8-15(2)20-18(19)7-6-13-22-20/h6-8,11,13,16-17H,4-5,9-10,12,14H2,1-3H3,(H,23,25)
InChIKeyYFUKDMMMSZDLKH-UHFFFAOYSA-N
XLogP3.25
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4877448
1-(2,4-dimethylphenyl)sulfonyl-N-isoquinolin-5-ylpiperidine-4-carboxamide
CID 29371674
1-(2,4-dimethylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-4-carboxamide
CID 31031050
4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-quinolin-7-ylethyl)benzamide
CID 71449439
6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1257030
N-cyclopentyl-1-(quinolin-8-ylsulfonyl)piperidine-4-carboxamide
CID 3240513
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 4097820
N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 4620051
N-(2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 5307620
N-(3-Methylphenyl)-1-(quinoline-8-sulfonyl)piperidine-3-carboxamide
CID 5308305
N-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 5308314
N-(4-Fluorophenyl)-1-(quinoline-8-sulfonyl)piperidine-3-carboxamide
CID 5308502

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide (CID 60568240) is N-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide is CCCCNC(=O)C1CCC(C)N(S(=O)(=O)c2ccc(C)c3ncccc23)C1.
What is the InChIKey of N-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is YFUKDMMMSZDLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-4-5-12-23-21(25)17-10-9-16(3)24(14-17)28(26,27)19-11-8-15(2)20-18(19)7-6-13-22-20/h6-8,11,13,16-17H,4-5,9-10,12,14H2,1-3H3,(H,23,25).
What are the key properties of N-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide?
N-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 403.55 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 60568240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).