methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate

C15H20N2O5S — CID 41012958

IUPACmethyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate
SMILESCOC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C(C)C
InChIInChI=1S/C15H20N2O5S/c1-9(2)14(15(19)22-3)17-23(20,21)11-5-6-12-10(8-11)4-7-13(18)16-12/h5-6,8-9,14,17H,4,7H2,1-3H3,(H,16,18)/t14-/m1/s1
InChIKeyFNRFEDMSFDYXBN-CQSZACIVSA-N
MW340.40 g/mol
LogP1.05
Rot. Bonds5

About methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate

methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate (PubChem CID 41012958) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate.

Molecular Properties

Compound Namemethyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate
PubChem CID41012958
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Namemethyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate
SMILESCOC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C(C)C
InChIInChI=1S/C15H20N2O5S/c1-9(2)14(15(19)22-3)17-23(20,21)11-5-6-12-10(8-11)4-7-13(18)16-12/h5-6,8-9,14,17H,4,7H2,1-3H3,(H,16,18)/t14-/m1/s1
InChIKeyFNRFEDMSFDYXBN-CQSZACIVSA-N
XLogP1.05
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440
N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 92747044
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46335909
2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55383913
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 52524073
(2R)-3-methyl-N-[(4-methylphenyl)methyl]-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]butanamide
CID 92723757
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid
CID 16762964
N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 92707486
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8800124
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 28537936
methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 171864842
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

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate?
The IUPAC name of methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate (CID 41012958) is methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate.
What is the SMILES notation for methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate?
The canonical SMILES for methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate is COC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C(C)C.
What is the InChIKey of methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate?
The InChIKey is FNRFEDMSFDYXBN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-9(2)14(15(19)22-3)17-23(20,21)11-5-6-12-10(8-11)4-7-13(18)16-12/h5-6,8-9,14,17H,4,7H2,1-3H3,(H,16,18)/t14-/m1/s1.
What are the key properties of methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate?
methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate has a molecular weight of 340.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate is sourced from PubChem (CID 41012958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).