N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide

C20H21N3O3S — CID 7043408

IUPACN-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCOCCn1c(SCC(=O)Nc2ccccc2C(C)=O)nc2ccccc21
InChIInChI=1S/C20H21N3O3S/c1-14(24)15-7-3-4-8-16(15)21-19(25)13-27-20-22-17-9-5-6-10-18(17)23(20)11-12-26-2/h3-10H,11-13H2,1-2H3,(H,21,25)
InChIKeyCOCAVIHGUXKCLW-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.62
Rot. Bonds8

About N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide

N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 7043408) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID7043408
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCOCCn1c(SCC(=O)Nc2ccccc2C(C)=O)nc2ccccc21
InChIInChI=1S/C20H21N3O3S/c1-14(24)15-7-3-4-8-16(15)21-19(25)13-27-20-22-17-9-5-6-10-18(17)23(20)11-12-26-2/h3-10H,11-13H2,1-2H3,(H,21,25)
InChIKeyCOCAVIHGUXKCLW-UHFFFAOYSA-N
XLogP3.62
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 18282785
N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 29350465
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505882
2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 7173153
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 4026208
N-(3-chloro-4-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 40926754
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 16505827
N-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 52546540
N-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40608287
tert-butyl 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetate
CID 84602163
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 2610706

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide (CID 7043408) is N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide is COCCn1c(SCC(=O)Nc2ccccc2C(C)=O)nc2ccccc21.
What is the InChIKey of N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is COCAVIHGUXKCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14(24)15-7-3-4-8-16(15)21-19(25)13-27-20-22-17-9-5-6-10-18(17)23(20)11-12-26-2/h3-10H,11-13H2,1-2H3,(H,21,25).
What are the key properties of N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide?
N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 383.47 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7043408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).