2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide

C20H21N3O2S — CID 22585512

IUPAC2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCOc1ccccc1Cn1ccnc1SCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H21N3O2S/c1-15-7-9-17(10-8-15)22-19(24)14-26-20-21-11-12-23(20)13-16-5-3-4-6-18(16)25-2/h3-12H,13-14H2,1-2H3,(H,22,24)
InChIKeyYRTMHUXDNRCFEC-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.98
Rot. Bonds7

About 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide

2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 22585512) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID22585512
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCOc1ccccc1Cn1ccnc1SCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H21N3O2S/c1-15-7-9-17(10-8-15)22-19(24)14-26-20-21-11-12-23(20)13-16-5-3-4-6-18(16)25-2/h3-12H,13-14H2,1-2H3,(H,22,24)
InChIKeyYRTMHUXDNRCFEC-UHFFFAOYSA-N
XLogP3.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 26816811
N-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22585532
N-(1,3-benzodioxol-5-yl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22585526
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 29063574
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide
CID 26816808
2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 42253982
N-(4-acetamidophenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7151038
2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 7386575
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4120310
N-[(2-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 26776005
2-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 22585488
2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 7151072

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide (CID 22585512) is 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide is COc1ccccc1Cn1ccnc1SCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is YRTMHUXDNRCFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-15-7-9-17(10-8-15)22-19(24)14-26-20-21-11-12-23(20)13-16-5-3-4-6-18(16)25-2/h3-12H,13-14H2,1-2H3,(H,22,24).
What are the key properties of 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 22585512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).