1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide

C21H19N5O5S2 — CID 24568371

IUPAC1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc(-c4ccc(NS(C)(=O)=O)cc4)cs3)ccc21
InChIInChI=1S/C21H19N5O5S2/c1-3-26-17-9-6-13(10-15(17)22-19(28)20(26)29)18(27)24-21-23-16(11-32-21)12-4-7-14(8-5-12)25-33(2,30)31/h4-11,25H,3H2,1-2H3,(H,22,28)(H,23,24,27)
InChIKeyWTIXIVANMYMGCE-UHFFFAOYSA-N
MW485.55 g/mol
LogP2.46
Rot. Bonds6

About 1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide

1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 24568371) has the molecular formula C21H19N5O5S2 and a molecular weight of 485.55 g/mol. Its IUPAC name is 1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID24568371
Molecular FormulaC21H19N5O5S2
Molecular Weight485.55 g/mol
Exact Mass485.08
IUPAC Name1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc(-c4ccc(NS(C)(=O)=O)cc4)cs3)ccc21
InChIInChI=1S/C21H19N5O5S2/c1-3-26-17-9-6-13(10-15(17)22-19(28)20(26)29)18(27)24-21-23-16(11-32-21)12-4-7-14(8-5-12)25-33(2,30)31/h4-11,25H,3H2,1-2H3,(H,22,28)(H,23,24,27)
InChIKeyWTIXIVANMYMGCE-UHFFFAOYSA-N
XLogP2.46
TPSA143.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide
CID 24568998
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 32864496
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
CID 51112118
N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46573515
N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 24568455
2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120552976
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30853480
3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 167850294
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide
CID 55821823
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 24568361

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 24568371) is 1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc(-c4ccc(NS(C)(=O)=O)cc4)cs3)ccc21.
What is the InChIKey of 1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is WTIXIVANMYMGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O5S2/c1-3-26-17-9-6-13(10-15(17)22-19(28)20(26)29)18(27)24-21-23-16(11-32-21)12-4-7-14(8-5-12)25-33(2,30)31/h4-11,25H,3H2,1-2H3,(H,22,28)(H,23,24,27).
What are the key properties of 1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 485.55 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 24568371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).