N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

C18H19N3O5S — CID 31079019

IUPACN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCOc1ccc(C)cc1[C@@H](C)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C18H19N3O5S/c1-10-4-7-16(26-3)13(8-10)11(2)21-27(24,25)12-5-6-14-15(9-12)20-18(23)17(22)19-14/h4-9,11,21H,1-3H3,(H,19,22)(H,20,23)/t11-/m1/s1
InChIKeyPTLIRDNYYRUMPB-LLVKDONJSA-N
MW389.43 g/mol
LogP1.57
Rot. Bonds5

About N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 31079019) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID31079019
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCOc1ccc(C)cc1[C@@H](C)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C18H19N3O5S/c1-10-4-7-16(26-3)13(8-10)11(2)21-27(24,25)12-5-6-14-15(9-12)20-18(23)17(22)19-14/h4-9,11,21H,1-3H3,(H,19,22)(H,20,23)/t11-/m1/s1
InChIKeyPTLIRDNYYRUMPB-LLVKDONJSA-N
XLogP1.57
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide with MolForge

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Related Compounds

methyl 4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]sulfamoyl]benzoate
CID 26530406
2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide
CID 866306
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28565515
N-(1-methoxypropan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 25045600
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 92675602
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133178714
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217933
1-bromo-N-[1-(2-methoxy-5-methylphenyl)ethyl]methanesulfonamide
CID 83084664
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 133219385
N-[1-(2-bromophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 55681681

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 31079019) is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is COc1ccc(C)cc1[C@@H](C)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is PTLIRDNYYRUMPB-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-10-4-7-16(26-3)13(8-10)11(2)21-27(24,25)12-5-6-14-15(9-12)20-18(23)17(22)19-14/h4-9,11,21H,1-3H3,(H,19,22)(H,20,23)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 389.43 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 31079019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).