N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide

C21H24N4O4S — CID 50768093

IUPACN-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCc1cc2nc(C)c(=O)n(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2cc1C
InChIInChI=1S/C21H24N4O4S/c1-13-10-18-19(11-14(13)2)25(21(27)15(3)24-18)12-20(26)23-9-8-16-4-6-17(7-5-16)30(22,28)29/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,26)(H2,22,28,29)
InChIKeyNBCBEWSCMOROHL-UHFFFAOYSA-N
MW428.51 g/mol
LogP1.33
Rot. Bonds6

About N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide

N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide (PubChem CID 50768093) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
PubChem CID50768093
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCc1cc2nc(C)c(=O)n(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2cc1C
InChIInChI=1S/C21H24N4O4S/c1-13-10-18-19(11-14(13)2)25(21(27)15(3)24-18)12-20(26)23-9-8-16-4-6-17(7-5-16)30(22,28)29/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,26)(H2,22,28,29)
InChIKeyNBCBEWSCMOROHL-UHFFFAOYSA-N
XLogP1.33
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295540
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295554
N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768123
4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538895
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768130
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 112993993
2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 20891885
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55772019
N-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324568
ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate
CID 27154557
N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028516

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide (CID 50768093) is N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide is Cc1cc2nc(C)c(=O)n(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2cc1C.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is NBCBEWSCMOROHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-13-10-18-19(11-14(13)2)25(21(27)15(3)24-18)12-20(26)23-9-8-16-4-6-17(7-5-16)30(22,28)29/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,26)(H2,22,28,29).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?
N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 428.51 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 50768093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).