N-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide

C21H23N3O2S — CID 51236617

IUPACN-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
SMILESCOc1ccccc1CNC(=O)C(C)Sc1ncc(-c2ccccc2)n1C
InChIInChI=1S/C21H23N3O2S/c1-15(20(25)22-13-17-11-7-8-12-19(17)26-3)27-21-23-14-18(24(21)2)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,22,25)
InChIKeyXTWHXWGSJLGEAS-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.89
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide

N-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide (PubChem CID 51236617) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
PubChem CID51236617
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
SMILESCOc1ccccc1CNC(=O)C(C)Sc1ncc(-c2ccccc2)n1C
InChIInChI=1S/C21H23N3O2S/c1-15(20(25)22-13-17-11-7-8-12-19(17)26-3)27-21-23-14-18(24(21)2)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,22,25)
InChIKeyXTWHXWGSJLGEAS-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 51234035
N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46677166
(2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide
CID 40510794
(2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 40670366
(2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 8959734
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 6546874
N-[(2-methoxyphenyl)methyl]-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 43014941
(2S)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 9002642
N-[(2-methoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667490
N-[(2-fluorophenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 40680051
N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 24651805
N-(ethylcarbamoyl)-2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 18290359

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide (CID 51236617) is N-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide is COc1ccccc1CNC(=O)C(C)Sc1ncc(-c2ccccc2)n1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is XTWHXWGSJLGEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15(20(25)22-13-17-11-7-8-12-19(17)26-3)27-21-23-14-18(24(21)2)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,22,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
N-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 381.50 g/mol, XLogP of 3.89, 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-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 51236617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).