N-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide

C29H29N3O4S — CID 118636174

IUPACN-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide
SMILESO=C([C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C29H29N3O4S/c33-27-14-11-24-20-25(12-13-26(24)30-27)37(35,36)31-28(23-9-5-2-6-10-23)29(34)32-17-15-22(16-18-32)19-21-7-3-1-4-8-21/h1-14,20,22,28,31H,15-19H2,(H,30,33)/t28-/m1/s1
InChIKeyDRTXQVAECUEZDT-MUUNZHRXSA-N
MW515.64 g/mol
LogP4.03
Rot. Bonds7

About N-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide

N-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 118636174) has the molecular formula C29H29N3O4S and a molecular weight of 515.64 g/mol. Its IUPAC name is N-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID118636174
Molecular FormulaC29H29N3O4S
Molecular Weight515.64 g/mol
Exact Mass515.19
IUPAC NameN-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide
SMILESO=C([C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C29H29N3O4S/c33-27-14-11-24-20-25(12-13-26(24)30-27)37(35,36)31-28(23-9-5-2-6-10-23)29(34)32-17-15-22(16-18-32)19-21-7-3-1-4-8-21/h1-14,20,22,28,31H,15-19H2,(H,30,33)/t28-/m1/s1
InChIKeyDRTXQVAECUEZDT-MUUNZHRXSA-N
XLogP4.03
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.64
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22576560
2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide
CID 158743185
6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one
CID 129223143
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 42910126
N-[(2S)-1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 92707489
N-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-4-ethoxybenzenesulfonamide
CID 43889147
N-[(2R)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92665417
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
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide
CID 162364764
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
CID 5210543
[1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid
CID 170161914

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide (CID 118636174) is N-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide is O=C([C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is DRTXQVAECUEZDT-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H29N3O4S/c33-27-14-11-24-20-25(12-13-26(24)30-27)37(35,36)31-28(23-9-5-2-6-10-23)29(34)32-17-15-22(16-18-32)19-21-7-3-1-4-8-21/h1-14,20,22,28,31H,15-19H2,(H,30,33)/t28-/m1/s1.
What are the key properties of N-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide?
N-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 515.64 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 118636174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).