N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide

C19H22N2O5S — CID 110383196

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)cc1OC
InChIInChI=1S/C19H22N2O5S/c1-21-16-7-6-15(11-14(16)5-9-19(21)22)27(23,24)20-12-13-4-8-17(25-2)18(10-13)26-3/h4,6-8,10-11,20H,5,9,12H2,1-3H3
InChIKeyHWIDYHBPGWBBJD-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.09
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide

N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide (PubChem CID 110383196) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
PubChem CID110383196
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)cc1OC
InChIInChI=1S/C19H22N2O5S/c1-21-16-7-6-15(11-14(16)5-9-19(21)22)27(23,24)20-12-13-4-8-17(25-2)18(10-13)26-3/h4,6-8,10-11,20H,5,9,12H2,1-3H3
InChIKeyHWIDYHBPGWBBJD-UHFFFAOYSA-N
XLogP2.09
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100556461
N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110627587
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178750
N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46335986
N-[(4-ethylphenyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110779553
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
3,4-dimethoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092532
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7510289
1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide
CID 110672337
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 53092587
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 53092608
N-cyclopropyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)sulfonylamino]acetamide
CID 110625100

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide (CID 110383196) is N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide is COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The InChIKey is HWIDYHBPGWBBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-21-16-7-6-15(11-14(16)5-9-19(21)22)27(23,24)20-12-13-4-8-17(25-2)18(10-13)26-3/h4,6-8,10-11,20H,5,9,12H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide has a molecular weight of 390.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide is sourced from PubChem (CID 110383196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).