2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

C26H27N3O3S — CID 16505776

IUPAC2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
SMILESCOCCn1c(SC(C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nc2ccccc21
InChIInChI=1S/C26H27N3O3S/c1-18-13-14-23(32-3)21(17-18)27-25(30)24(19-9-5-4-6-10-19)33-26-28-20-11-7-8-12-22(20)29(26)15-16-31-2/h4-14,17,24H,15-16H2,1-3H3,(H,27,30)
InChIKeyZXWAZDSLFIJBOJ-UHFFFAOYSA-N
MW461.59 g/mol
LogP5.47
Rot. Bonds9

About 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide (PubChem CID 16505776) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
PubChem CID16505776
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
SMILESCOCCn1c(SC(C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nc2ccccc21
InChIInChI=1S/C26H27N3O3S/c1-18-13-14-23(32-3)21(17-18)27-25(30)24(19-9-5-4-6-10-19)33-26-28-20-11-7-8-12-22(20)29(26)15-16-31-2/h4-14,17,24H,15-16H2,1-3H3,(H,27,30)
InChIKeyZXWAZDSLFIJBOJ-UHFFFAOYSA-N
XLogP5.47
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.59
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 51396031
(2R)-N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 2460572
(2R)-N-(2-methoxy-5-methylphenyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-2-phenylacetamide
CID 2112043
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2621115
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 40926731
(2R)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 40804688
(2R)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 8723048
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 55384666
N-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46618093
(2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide
CID 40940383
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 9046235
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 55476737

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The IUPAC name of 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide (CID 16505776) is 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide is COCCn1c(SC(C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The InChIKey is ZXWAZDSLFIJBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-18-13-14-23(32-3)21(17-18)27-25(30)24(19-9-5-4-6-10-19)33-26-28-20-11-7-8-12-22(20)29(26)15-16-31-2/h4-14,17,24H,15-16H2,1-3H3,(H,27,30).
What are the key properties of 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide has a molecular weight of 461.59 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 16505776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).