N-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide

C21H23N3O3S — CID 52546540

IUPACN-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCOCCn1c(SCCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc21
InChIInChI=1S/C21H23N3O3S/c1-15(25)16-7-9-17(10-8-16)22-20(26)11-14-28-21-23-18-5-3-4-6-19(18)24(21)12-13-27-2/h3-10H,11-14H2,1-2H3,(H,22,26)
InChIKeyKEFRWHSIULYURC-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.01
Rot. Bonds9

About N-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide

N-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide (PubChem CID 52546540) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
PubChem CID52546540
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCOCCn1c(SCCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc21
InChIInChI=1S/C21H23N3O3S/c1-15(25)16-7-9-17(10-8-16)22-20(26)11-14-28-21-23-18-5-3-4-6-19(18)24(21)12-13-27-2/h3-10H,11-14H2,1-2H3,(H,22,26)
InChIKeyKEFRWHSIULYURC-UHFFFAOYSA-N
XLogP4.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505882
N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 46347549
N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 7043408
N-(3-chloro-4-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 40926754
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
1-[4-ethoxy-3-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanone
CID 112775591
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 4026208
N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774742
1-(3,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 4267164
tert-butyl 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetate
CID 84602163
N-[3-(dimethylsulfamoyl)phenyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505860
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 16505827

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide (CID 52546540) is N-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide is COCCn1c(SCCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc21.
What is the InChIKey of N-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide?
The InChIKey is KEFRWHSIULYURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15(25)16-7-9-17(10-8-16)22-20(26)11-14-28-21-23-18-5-3-4-6-19(18)24(21)12-13-27-2/h3-10H,11-14H2,1-2H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide?
N-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide has a molecular weight of 397.50 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 52546540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).