N-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide

C20H23N3OS — CID 1327709

IUPACN-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide
SMILESCCSc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C20H23N3OS/c1-4-15-10-8-9-14(3)19(15)22-18(24)13-23-17-12-7-6-11-16(17)21-20(23)25-5-2/h6-12H,4-5,13H2,1-3H3,(H,22,24)
InChIKeyNFTMZZMUQZIEKX-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.66
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide

N-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide (PubChem CID 1327709) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide
PubChem CID1327709
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide
SMILESCCSc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C20H23N3OS/c1-4-15-10-8-9-14(3)19(15)22-18(24)13-23-17-12-7-6-11-16(17)21-20(23)25-5-2/h6-12H,4-5,13H2,1-3H3,(H,22,24)
InChIKeyNFTMZZMUQZIEKX-UHFFFAOYSA-N
XLogP4.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 46347596
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 7309454
N-(2,6-diethylphenyl)-2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide
CID 1440840
N-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 50833144
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 2701084
2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide
CID 25330591
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17033143
2-[2-[(4-chlorophenyl)sulfanylmethyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 1486623
N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
CID 46284677
2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3642390
N-(2,6-difluorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7246603

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide (CID 1327709) is N-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide is CCSc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1CC.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide?
The InChIKey is NFTMZZMUQZIEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-4-15-10-8-9-14(3)19(15)22-18(24)13-23-17-12-7-6-11-16(17)21-20(23)25-5-2/h6-12H,4-5,13H2,1-3H3,(H,22,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide?
N-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide has a molecular weight of 353.49 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 1327709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).