N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide

C25H30N2O5S — CID 1373419

IUPACN-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3c(C)cc(C)cc3C)c(=O)[nH]c2c1
InChIInChI=1S/C25H30N2O5S/c1-16-10-17(2)24(18(3)11-16)33(29,30)27(15-22-6-5-9-32-22)14-20-12-19-7-8-21(31-4)13-23(19)26-25(20)28/h7-8,10-13,22H,5-6,9,14-15H2,1-4H3,(H,26,28)/t22-/m0/s1
InChIKeyVUKPGTCSCLPDMW-QFIPXVFZSA-N
MW470.59 g/mol
LogP3.83
Rot. Bonds7

About N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide

N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 1373419) has the molecular formula C25H30N2O5S and a molecular weight of 470.59 g/mol. Its IUPAC name is N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID1373419
Molecular FormulaC25H30N2O5S
Molecular Weight470.59 g/mol
Exact Mass470.19
IUPAC NameN-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3c(C)cc(C)cc3C)c(=O)[nH]c2c1
InChIInChI=1S/C25H30N2O5S/c1-16-10-17(2)24(18(3)11-16)33(29,30)27(15-22-6-5-9-32-22)14-20-12-19-7-8-21(31-4)13-23(19)26-25(20)28/h7-8,10-13,22H,5-6,9,14-15H2,1-4H3,(H,26,28)/t22-/m0/s1
InChIKeyVUKPGTCSCLPDMW-QFIPXVFZSA-N
XLogP3.83
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 1437036
2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1164813
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3183997
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1168870
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1373626
2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 3184105
2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 1164823
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3185987
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3765229
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 1437034
4-acetyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3184134
3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 95197102

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (CID 1373419) is N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is COc1ccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3c(C)cc(C)cc3C)c(=O)[nH]c2c1.
What is the InChIKey of N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is VUKPGTCSCLPDMW-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H30N2O5S/c1-16-10-17(2)24(18(3)11-16)33(29,30)27(15-22-6-5-9-32-22)14-20-12-19-7-8-21(31-4)13-23(19)26-25(20)28/h7-8,10-13,22H,5-6,9,14-15H2,1-4H3,(H,26,28)/t22-/m0/s1.
What are the key properties of N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 470.59 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 1373419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).