N-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C18H16ClN3OS — CID 16896869

IUPACN-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CSc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H16ClN3OS/c1-12-14(19)8-5-9-15(12)21-17(23)11-24-18-20-10-16(22-18)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyYYSZPOVVPXYERR-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.77
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 16896869) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID16896869
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CSc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H16ClN3OS/c1-12-14(19)8-5-9-15(12)21-17(23)11-24-18-20-10-16(22-18)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyYYSZPOVVPXYERR-UHFFFAOYSA-N
XLogP4.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 40604658
N-(2-fluorophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1116757
2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 27736148
N-(3-chloro-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide;hydrochloride
CID 45054225
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896870
N-(4-acetamidophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16809577
N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 856403
N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1451049
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 25495577
N-(4-methylsulfonylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 35040321
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-methylsulfonylphenyl)acetamide
CID 24500653
N-(3-bromophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 15989788

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 16896869) is N-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is Cc1c(Cl)cccc1NC(=O)CSc1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is YYSZPOVVPXYERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-12-14(19)8-5-9-15(12)21-17(23)11-24-18-20-10-16(22-18)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 357.87 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 16896869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).