N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide

C21H25N3O3S — CID 60601044

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)NC(C)c2cc(OC)ccc2OC)nc2ccccc21
InChIInChI=1S/C21H25N3O3S/c1-5-24-18-9-7-6-8-17(18)23-21(24)28-13-20(25)22-14(2)16-12-15(26-3)10-11-19(16)27-4/h6-12,14H,5,13H2,1-4H3,(H,22,25)
InChIKeyKQVNBRDSBHFRQX-UHFFFAOYSA-N
MW399.52 g/mol
LogP4.04
Rot. Bonds8

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 60601044) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID60601044
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)NC(C)c2cc(OC)ccc2OC)nc2ccccc21
InChIInChI=1S/C21H25N3O3S/c1-5-24-18-9-7-6-8-17(18)23-21(24)28-13-20(25)22-14(2)16-12-15(26-3)10-11-19(16)27-4/h6-12,14H,5,13H2,1-4H3,(H,22,25)
InChIKeyKQVNBRDSBHFRQX-UHFFFAOYSA-N
XLogP4.04
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 51214703
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 55366480
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide
CID 17459407
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 9478267
N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171399
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40829608
N-(3,5-dimethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 1142140
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 51207601
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16500021
1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine
CID 51087630
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60594664
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 8806676

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide (CID 60601044) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide is CCn1c(SCC(=O)NC(C)c2cc(OC)ccc2OC)nc2ccccc21.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is KQVNBRDSBHFRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-5-24-18-9-7-6-8-17(18)23-21(24)28-13-20(25)22-14(2)16-12-15(26-3)10-11-19(16)27-4/h6-12,14H,5,13H2,1-4H3,(H,22,25).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 399.52 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 60601044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).