N-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide

C23H25N3O2S — CID 46325052

IUPACN-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
SMILESCc1ccc(Cn2c(=O)c(SCC(=O)NC3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C23H25N3O2S/c1-16-10-12-17(13-11-16)14-26-20-9-5-4-8-19(20)25-22(23(26)28)29-15-21(27)24-18-6-2-3-7-18/h4-5,8-13,18H,2-3,6-7,14-15H2,1H3,(H,24,27)
InChIKeyUCGKCPMWUWAJKZ-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.90
Rot. Bonds6

About N-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide

N-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide (PubChem CID 46325052) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
PubChem CID46325052
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
SMILESCc1ccc(Cn2c(=O)c(SCC(=O)NC3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C23H25N3O2S/c1-16-10-12-17(13-11-16)14-26-20-9-5-4-8-19(20)25-22(23(26)28)29-15-21(27)24-18-6-2-3-7-18/h4-5,8-13,18H,2-3,6-7,14-15H2,1H3,(H,24,27)
InChIKeyUCGKCPMWUWAJKZ-UHFFFAOYSA-N
XLogP3.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50781489
2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92869847
N-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50781324
N-cyclopentyl-2-[[4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]acetamide
CID 3226373
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
CID 46325057
2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 46325103
N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
CID 46325099
2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
CID 2440467
2-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide
CID 24793357
N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
CID 860331
2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N,N-dimethylacetamide
CID 654945
N-cyclopentyl-2-[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 3224649

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide (CID 46325052) is N-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide is Cc1ccc(Cn2c(=O)c(SCC(=O)NC3CCCC3)nc3ccccc32)cc1.
What is the InChIKey of N-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide?
The InChIKey is UCGKCPMWUWAJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-16-10-12-17(13-11-16)14-26-20-9-5-4-8-19(20)25-22(23(26)28)29-15-21(27)24-18-6-2-3-7-18/h4-5,8-13,18H,2-3,6-7,14-15H2,1H3,(H,24,27).
What are the key properties of N-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide?
N-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide has a molecular weight of 407.54 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide is sourced from PubChem (CID 46325052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).