N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide

C21H23N3O2S — CID 46677166

IUPACN-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCOc1ccccc1CNC(=O)C(C)Sc1nccn1-c1cccc(C)c1
InChIInChI=1S/C21H23N3O2S/c1-15-7-6-9-18(13-15)24-12-11-22-21(24)27-16(2)20(25)23-14-17-8-4-5-10-19(17)26-3/h4-13,16H,14H2,1-3H3,(H,23,25)
InChIKeyICFKPOXREIQXBQ-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.99
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide

N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 46677166) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID46677166
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCOc1ccccc1CNC(=O)C(C)Sc1nccn1-c1cccc(C)c1
InChIInChI=1S/C21H23N3O2S/c1-15-7-6-9-18(13-15)24-12-11-22-21(24)27-16(2)20(25)23-14-17-8-4-5-10-19(17)26-3/h4-13,16H,14H2,1-3H3,(H,23,25)
InChIKeyICFKPOXREIQXBQ-UHFFFAOYSA-N
XLogP3.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 24558232
N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236327
N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46806828
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 43015285
(2S)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 9002642
N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 51234035
N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51235651
N-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 51236617
N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51279989
N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 43024379
N-[(2-methoxyphenyl)methyl]-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 43014941
(2S)-N-[(1S,2S)-2-methylcyclohexyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51481324

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide (CID 46677166) is N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide is COc1ccccc1CNC(=O)C(C)Sc1nccn1-c1cccc(C)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is ICFKPOXREIQXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15-7-6-9-18(13-15)24-12-11-22-21(24)27-16(2)20(25)23-14-17-8-4-5-10-19(17)26-3/h4-13,16H,14H2,1-3H3,(H,23,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 381.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 46677166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).