N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C22H26N4O4S — CID 41256051

IUPACN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Cn2c(=O)cnc3ccccc32)cc1
InChIInChI=1S/C22H26N4O4S/c1-4-25(5-2)31(29,30)18-12-10-17(11-13-18)16(3)24-21(27)15-26-20-9-7-6-8-19(20)23-14-22(26)28/h6-14,16H,4-5,15H2,1-3H3,(H,24,27)/t16-/m0/s1
InChIKeyUTLVFSOTWAAROC-INIZCTEOSA-N
MW442.54 g/mol
LogP2.30
Rot. Bonds8

About N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 41256051) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID41256051
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Cn2c(=O)cnc3ccccc32)cc1
InChIInChI=1S/C22H26N4O4S/c1-4-25(5-2)31(29,30)18-12-10-17(11-13-18)16(3)24-21(27)15-26-20-9-7-6-8-19(20)23-14-22(26)28/h6-14,16H,4-5,15H2,1-3H3,(H,24,27)/t16-/m0/s1
InChIKeyUTLVFSOTWAAROC-INIZCTEOSA-N
XLogP2.30
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 41482598
N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 16548369
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 26371826
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 26809065
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 55487296
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 41077979
N-[(2R)-1-methoxypropan-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2509253
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 40589321
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 55890335
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755480
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119686834

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 41256051) is N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Cn2c(=O)cnc3ccccc32)cc1.
What is the InChIKey of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is UTLVFSOTWAAROC-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-4-25(5-2)31(29,30)18-12-10-17(11-13-18)16(3)24-21(27)15-26-20-9-7-6-8-19(20)23-14-22(26)28/h6-14,16H,4-5,15H2,1-3H3,(H,24,27)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 442.54 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 41256051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).