8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide

C20H29N3O4S — CID 71562728

IUPAC8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide
SMILESCCCCCCC[C@H](C)NC(=O)c1cc(=O)c2cccc(NS(C)(=O)=O)c2[nH]1
InChIInChI=1S/C20H29N3O4S/c1-4-5-6-7-8-10-14(2)21-20(25)17-13-18(24)15-11-9-12-16(19(15)22-17)23-28(3,26)27/h9,11-14,23H,4-8,10H2,1-3H3,(H,21,25)(H,22,24)/t14-/m0/s1
InChIKeyZRIUNLGFLWTKPX-AWEZNQCLSA-N
MW407.54 g/mol
LogP3.38
Rot. Bonds10

About 8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide

8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 71562728) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is 8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide
PubChem CID71562728
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC Name8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide
SMILESCCCCCCC[C@H](C)NC(=O)c1cc(=O)c2cccc(NS(C)(=O)=O)c2[nH]1
InChIInChI=1S/C20H29N3O4S/c1-4-5-6-7-8-10-14(2)21-20(25)17-13-18(24)15-11-9-12-16(19(15)22-17)23-28(3,26)27/h9,11-14,23H,4-8,10H2,1-3H3,(H,21,25)(H,22,24)/t14-/m0/s1
InChIKeyZRIUNLGFLWTKPX-AWEZNQCLSA-N
XLogP3.38
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide with MolForge

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Related Compounds

N-(2-hydroxyphenyl)-8-(methanesulfonamido)-4-oxo-1H-quinoline-2-carboxamide
CID 71562973
8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide
CID 166326762
1-ethyl-2-[[2-(methanesulfonamido)phenyl]methyl]-3-octan-2-ylguanidine;hydroiodide
CID 111212854
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
N-heptan-2-yl-2,6-dihydroxybenzamide
CID 103748986
5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490337
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid
CID 107564052
5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490373
5-(heptan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65371017
(2S)-2-[[2-(methanesulfonamido)benzoyl]amino]hexanoic acid
CID 120615522
N-octan-2-yl-4-(propylamino)benzamide
CID 63500795
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572

Frequently Asked Questions

What is the IUPAC name of 8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of 8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide (CID 71562728) is 8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for 8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for 8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide is CCCCCCC[C@H](C)NC(=O)c1cc(=O)c2cccc(NS(C)(=O)=O)c2[nH]1.
What is the InChIKey of 8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is ZRIUNLGFLWTKPX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-4-5-6-7-8-10-14(2)21-20(25)17-13-18(24)15-11-9-12-16(19(15)22-17)23-28(3,26)27/h9,11-14,23H,4-8,10H2,1-3H3,(H,21,25)(H,22,24)/t14-/m0/s1.
What are the key properties of 8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide?
8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 3.38, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 71562728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).