N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide

C21H29N3O4S — CID 22576560

IUPACN-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide
SMILESCC(C)CC(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N1CCC(C)CC1
InChIInChI=1S/C21H29N3O4S/c1-14(2)12-19(21(26)24-10-8-15(3)9-11-24)23-29(27,28)17-5-6-18-16(13-17)4-7-20(25)22-18/h4-7,13-15,19,23H,8-12H2,1-3H3,(H,22,25)
InChIKeyXHNKRGWWSULUOJ-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.48
Rot. Bonds6

About N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide

N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 22576560) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID22576560
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide
SMILESCC(C)CC(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N1CCC(C)CC1
InChIInChI=1S/C21H29N3O4S/c1-14(2)12-19(21(26)24-10-8-15(3)9-11-24)23-29(27,28)17-5-6-18-16(13-17)4-7-20(25)22-18/h4-7,13-15,19,23H,8-12H2,1-3H3,(H,22,25)
InChIKeyXHNKRGWWSULUOJ-UHFFFAOYSA-N
XLogP2.48
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 118636174
(2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide
CID 92712465
N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 35510552
4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid
CID 120660467
N-[(3E)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]-2-oxo-1H-quinoline-6-sulfonamide
CID 118636373
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 25271984
4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 110351459
4-methoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide
CID 110285725
N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide
CID 66988688
1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide
CID 110351456
N-[(2R)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92665417
(2S)-2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-4-methylpentanoic acid
CID 2206886

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide (CID 22576560) is N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide is CC(C)CC(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N1CCC(C)CC1.
What is the InChIKey of N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is XHNKRGWWSULUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-14(2)12-19(21(26)24-10-8-15(3)9-11-24)23-29(27,28)17-5-6-18-16(13-17)4-7-20(25)22-18/h4-7,13-15,19,23H,8-12H2,1-3H3,(H,22,25).
What are the key properties of N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide?
N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 419.55 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 22576560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).