N-(2,5-dimethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide

C24H22N4O4S — CID 4670794

IUPACN-(2,5-dimethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2cc(C(=O)c3nccn3C)c3ccccc3n2)c1
InChIInChI=1S/C24H22N4O4S/c1-28-11-10-25-24(28)23(30)17-13-22(27-18-7-5-4-6-16(17)18)33-14-21(29)26-19-12-15(31-2)8-9-20(19)32-3/h4-13H,14H2,1-3H3,(H,26,29)
InChIKeyDIUPKLWKSFQINZ-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.95
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide (PubChem CID 4670794) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide
PubChem CID4670794
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2cc(C(=O)c3nccn3C)c3ccccc3n2)c1
InChIInChI=1S/C24H22N4O4S/c1-28-11-10-25-24(28)23(30)17-13-22(27-18-7-5-4-6-16(17)18)33-14-21(29)26-19-12-15(31-2)8-9-20(19)32-3/h4-13H,14H2,1-3H3,(H,26,29)
InChIKeyDIUPKLWKSFQINZ-UHFFFAOYSA-N
XLogP3.95
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide
CID 3648877
methyl 2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetate
CID 2998523
N-(2,5-dimethoxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135543404
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 43814879
N-(2,5-dimethoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
CID 27441032
N-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide
CID 4064020
N-(2,5-dimethoxyphenyl)-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298695
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
N-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 4186213
N-cyclopropyl-2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 46645921
N-(2,5-dimethoxyphenyl)-2-[4-oxo-3-(2-thiophen-2-ylethyl)quinazolin-2-yl]sulfanylacetamide
CID 46925644
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide (CID 4670794) is N-(2,5-dimethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2cc(C(=O)c3nccn3C)c3ccccc3n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide?
The InChIKey is DIUPKLWKSFQINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-28-11-10-25-24(28)23(30)17-13-22(27-18-7-5-4-6-16(17)18)33-14-21(29)26-19-12-15(31-2)8-9-20(19)32-3/h4-13H,14H2,1-3H3,(H,26,29).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide has a molecular weight of 462.53 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 4670794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).