(2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide

C25H29N3O4S — CID 92712465

IUPAC(2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide
SMILESCC(C)C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C25H29N3O4S/c1-16(2)14-23(25(30)27-22-9-5-7-17-6-3-4-8-20(17)22)28-33(31,32)19-11-12-21-18(15-19)10-13-24(29)26-21/h5,7,9-13,15-16,23,28H,3-4,6,8,14H2,1-2H3,(H,26,29)(H,27,30)/t23-/m1/s1
InChIKeyCEKGOUCHOAFDDV-HSZRJFAPSA-N
MW467.59 g/mol
LogP3.74
Rot. Bonds7

About (2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide

(2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide (PubChem CID 92712465) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide
PubChem CID92712465
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name(2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide
SMILESCC(C)C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C25H29N3O4S/c1-16(2)14-23(25(30)27-22-9-5-7-17-6-3-4-8-20(17)22)28-33(31,32)19-11-12-21-18(15-19)10-13-24(29)26-21/h5,7,9-13,15-16,23,28H,3-4,6,8,14H2,1-2H3,(H,26,29)(H,27,30)/t23-/m1/s1
InChIKeyCEKGOUCHOAFDDV-HSZRJFAPSA-N
XLogP3.74
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide with MolForge

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Related Compounds

N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22576560
4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid
CID 120660467
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dimethylphenyl)-4-methylpentanamide
CID 15996337
methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate
CID 126458941
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040
N-(3-chloro-2-methylphenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide
CID 122175631
N-(4-methoxyphenyl)-4-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]pentanamide
CID 20949427
(2S)-2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-4-methylpentanoic acid
CID 2206886
N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 91030950
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909788
(2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide
CID 8572325
2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide
CID 158743185

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide?
The IUPAC name of (2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide (CID 92712465) is (2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide.
What is the SMILES notation for (2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide?
The canonical SMILES for (2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide is CC(C)C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of (2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide?
The InChIKey is CEKGOUCHOAFDDV-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-16(2)14-23(25(30)27-22-9-5-7-17-6-3-4-8-20(17)22)28-33(31,32)19-11-12-21-18(15-19)10-13-24(29)26-21/h5,7,9-13,15-16,23,28H,3-4,6,8,14H2,1-2H3,(H,26,29)(H,27,30)/t23-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide?
(2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide has a molecular weight of 467.59 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide is sourced from PubChem (CID 92712465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).