N-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide

C26H33N3O4S — CID 22064832

IUPACN-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N2c3ccccc3NC(=O)C2CC(=O)NCC2CCCCC2)c(C)c1
InChIInChI=1S/C26H33N3O4S/c1-17-13-18(2)25(19(3)14-17)34(32,33)29-22-12-8-7-11-21(22)28-26(31)23(29)15-24(30)27-16-20-9-5-4-6-10-20/h7-8,11-14,20,23H,4-6,9-10,15-16H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyOCQDGUXJMGZOIT-UHFFFAOYSA-N
MW483.63 g/mol
LogP4.21
Rot. Bonds6

About N-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide

N-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 22064832) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID22064832
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N2c3ccccc3NC(=O)C2CC(=O)NCC2CCCCC2)c(C)c1
InChIInChI=1S/C26H33N3O4S/c1-17-13-18(2)25(19(3)14-17)34(32,33)29-22-12-8-7-11-21(22)28-26(31)23(29)15-24(30)27-16-20-9-5-4-6-10-20/h7-8,11-14,20,23H,4-6,9-10,15-16H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyOCQDGUXJMGZOIT-UHFFFAOYSA-N
XLogP4.21
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 22065072
2-[(2S)-3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-(2-phenylacetyl)acetamide
CID 1272473
N-(2-methoxyphenyl)-2-[(2R)-3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1098720
N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 69038846
2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-piperidin-2-ylethyl)acetamide
CID 69041609
2-[1-(4-chloro-2,6-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[4-(diaminomethylideneamino)-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]acetamide
CID 24887801
N-[2-[1-(2-aminoacetyl)piperidin-4-yl]ethyl]-2-[1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 22064926
2-[1-[4-(acetamidomethyl)phenyl]sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 42912899
2-[1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide
CID 22064838
N-(2-ethoxyphenyl)-2-[(2S)-1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 981741
N-benzyl-2-[1-(3-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 22064876
2-[1-(4-chloro-2,6-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[1-oxo-3-(4-pyridin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 24885417

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide (CID 22064832) is N-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide is Cc1cc(C)c(S(=O)(=O)N2c3ccccc3NC(=O)C2CC(=O)NCC2CCCCC2)c(C)c1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is OCQDGUXJMGZOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-17-13-18(2)25(19(3)14-17)34(32,33)29-22-12-8-7-11-21(22)28-26(31)23(29)15-24(30)27-16-20-9-5-4-6-10-20/h7-8,11-14,20,23H,4-6,9-10,15-16H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide?
N-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 483.63 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 22064832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).