2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide

C19H21N3OS2 — CID 28594540

IUPAC2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1[nH]c(SCC(=O)NCCc2cccs2)nc1Cc1ccccc1
InChIInChI=1S/C19H21N3OS2/c1-14-17(12-15-6-3-2-4-7-15)22-19(21-14)25-13-18(23)20-10-9-16-8-5-11-24-16/h2-8,11H,9-10,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyYVGSMUYIFRSWOT-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.82
Rot. Bonds8

About 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide

2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 28594540) has the molecular formula C19H21N3OS2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID28594540
Molecular FormulaC19H21N3OS2
Molecular Weight371.53 g/mol
Exact Mass371.11
IUPAC Name2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1[nH]c(SCC(=O)NCCc2cccs2)nc1Cc1ccccc1
InChIInChI=1S/C19H21N3OS2/c1-14-17(12-15-6-3-2-4-7-15)22-19(21-14)25-13-18(23)20-10-9-16-8-5-11-24-16/h2-8,11H,9-10,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyYVGSMUYIFRSWOT-UHFFFAOYSA-N
XLogP3.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 17404499
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide
CID 42982161
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 18282697
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 40524672
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 17431563
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
CID 6472561
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7250950
N-(4-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 17017890
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
CID 7250949
2-(2-methylquinazolin-4-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 7627761
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 7250827
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 8955996

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide (CID 28594540) is 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide is Cc1[nH]c(SCC(=O)NCCc2cccs2)nc1Cc1ccccc1.
What is the InChIKey of 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is YVGSMUYIFRSWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS2/c1-14-17(12-15-6-3-2-4-7-15)22-19(21-14)25-13-18(23)20-10-9-16-8-5-11-24-16/h2-8,11H,9-10,12-13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 371.53 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 28594540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).