N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide

C23H24FN3OS — CID 6618537

IUPACN-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2nc1Cc1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C23H24FN3OS/c24-17-12-10-16(11-13-17)14-21-23(27-20-9-5-4-8-19(20)26-21)29-15-22(28)25-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14-15H2,(H,25,28)
InChIKeyIBAZORKZLVIPAD-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.90
Rot. Bonds6

About N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide

N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide (PubChem CID 6618537) has the molecular formula C23H24FN3OS and a molecular weight of 409.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
PubChem CID6618537
Molecular FormulaC23H24FN3OS
Molecular Weight409.53 g/mol
Exact Mass409.16
IUPAC NameN-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2nc1Cc1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C23H24FN3OS/c24-17-12-10-16(11-13-17)14-21-23(27-20-9-5-4-8-19(20)26-21)29-15-22(28)25-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14-15H2,(H,25,28)
InChIKeyIBAZORKZLVIPAD-UHFFFAOYSA-N
XLogP4.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 46357614
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
CID 7250949
N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
CID 860331
N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50781489
2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide
CID 46357628
N-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
CID 46325052
N-cyclohexyl-2-[[5-[(4-fluorophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetamide
CID 42737609
N-cyclopentyl-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7398848
N-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide
CID 1285701
N-[(4-fluorophenyl)methyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
CID 22332549
N-cyclohexyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51364986
N-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365001

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide (CID 6618537) is N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide is O=C(CSc1nc2ccccc2nc1Cc1ccc(F)cc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
The InChIKey is IBAZORKZLVIPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3OS/c24-17-12-10-16(11-13-17)14-21-23(27-20-9-5-4-8-19(20)26-21)29-15-22(28)25-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14-15H2,(H,25,28).
What are the key properties of N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide has a molecular weight of 409.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide is sourced from PubChem (CID 6618537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).