N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide

C21H23N3O2S — CID 18575414

IUPACN-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide
SMILESCOc1ccc(-c2cnc(SCCNC(=O)Cc3cccc(C)c3)[nH]2)cc1
InChIInChI=1S/C21H23N3O2S/c1-15-4-3-5-16(12-15)13-20(25)22-10-11-27-21-23-14-19(24-21)17-6-8-18(26-2)9-7-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyUAWVDOZXCQVXHT-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.84
Rot. Bonds8

About N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide

N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide (PubChem CID 18575414) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide
PubChem CID18575414
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide
SMILESCOc1ccc(-c2cnc(SCCNC(=O)Cc3cccc(C)c3)[nH]2)cc1
InChIInChI=1S/C21H23N3O2S/c1-15-4-3-5-16(12-15)13-20(25)22-10-11-27-21-23-14-19(24-21)17-6-8-18(26-2)9-7-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyUAWVDOZXCQVXHT-UHFFFAOYSA-N
XLogP3.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenylacetamide
CID 21104898
3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 18575390
N-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide
CID 18575488
N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide
CID 18575464
4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide
CID 35039501
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-methylbenzamide
CID 3273706
2-(4-methoxyphenyl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide
CID 110666491
3,4,5-triethoxy-N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 18575448
3,4-diethoxy-N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 18575446
methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate
CID 116880251
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide
CID 110307646

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide (CID 18575414) is N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide is COc1ccc(-c2cnc(SCCNC(=O)Cc3cccc(C)c3)[nH]2)cc1.
What is the InChIKey of N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is UAWVDOZXCQVXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15-4-3-5-16(12-15)13-20(25)22-10-11-27-21-23-14-19(24-21)17-6-8-18(26-2)9-7-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide?
N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 381.50 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 18575414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).