N-(2-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide

C24H22N4O3S — CID 3648877

IUPACN-(2-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1cc(C(=O)c2nccn2C)c2ccccc2n1
InChIInChI=1S/C24H22N4O3S/c1-3-31-20-11-7-6-10-19(20)26-21(29)15-32-22-14-17(16-8-4-5-9-18(16)27-22)23(30)24-25-12-13-28(24)2/h4-14H,3,15H2,1-2H3,(H,26,29)
InChIKeyLFHMYLCYMALSKW-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.33
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide

N-(2-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide (PubChem CID 3648877) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide
PubChem CID3648877
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-(2-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1cc(C(=O)c2nccn2C)c2ccccc2n1
InChIInChI=1S/C24H22N4O3S/c1-3-31-20-11-7-6-10-19(20)26-21(29)15-32-22-14-17(16-8-4-5-9-18(16)27-22)23(30)24-25-12-13-28(24)2/h4-14H,3,15H2,1-2H3,(H,26,29)
InChIKeyLFHMYLCYMALSKW-UHFFFAOYSA-N
XLogP4.33
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide
CID 4670794
methyl 2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetate
CID 2998523
N-(2-ethoxyphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 34905335
N-(2-ethoxyphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329894
N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302952
N-(2-ethoxyphenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4781935
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 2529480
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 17288753
N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 27624686
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 3151668
[2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 31867338
2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 3214175

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide (CID 3648877) is N-(2-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide is CCOc1ccccc1NC(=O)CSc1cc(C(=O)c2nccn2C)c2ccccc2n1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide?
The InChIKey is LFHMYLCYMALSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-3-31-20-11-7-6-10-19(20)26-21(29)15-32-22-14-17(16-8-4-5-9-18(16)27-22)23(30)24-25-12-13-28(24)2/h4-14H,3,15H2,1-2H3,(H,26,29).
What are the key properties of N-(2-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide?
N-(2-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide has a molecular weight of 446.53 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 3648877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).