N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

C18H19N3O5S — CID 31109169

IUPACN-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESC[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)o1
InChIInChI=1S/C18H19N3O5S/c1-10-7-13(10)16-6-3-11(26-16)9-21(2)27(24,25)12-4-5-14-15(8-12)20-18(23)17(22)19-14/h3-6,8,10,13H,7,9H2,1-2H3,(H,19,22)(H,20,23)/t10-,13-/m0/s1
InChIKeyZDDCPCQFRSHGHB-GWCFXTLKSA-N
MW389.43 g/mol
LogP1.75
Rot. Bonds5

About N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 31109169) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID31109169
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESC[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)o1
InChIInChI=1S/C18H19N3O5S/c1-10-7-13(10)16-6-3-11(26-16)9-21(2)27(24,25)12-4-5-14-15(8-12)20-18(23)17(22)19-14/h3-6,8,10,13H,7,9H2,1-2H3,(H,19,22)(H,20,23)/t10-,13-/m0/s1
InChIKeyZDDCPCQFRSHGHB-GWCFXTLKSA-N
XLogP1.75
TPSA116.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 31109169) is N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)o1.
What is the InChIKey of N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is ZDDCPCQFRSHGHB-GWCFXTLKSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-10-7-13(10)16-6-3-11(26-16)9-21(2)27(24,25)12-4-5-14-15(8-12)20-18(23)17(22)19-14/h3-6,8,10,13H,7,9H2,1-2H3,(H,19,22)(H,20,23)/t10-,13-/m0/s1.
What are the key properties of N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 389.43 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 31109169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).