(2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide

C15H19N3O3S — CID 94029530

IUPAC(2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide
SMILESC[C@H](C(=O)NCc1ccc(Cn2ccnc2)cc1)S(C)(=O)=O
InChIInChI=1S/C15H19N3O3S/c1-12(22(2,20)21)15(19)17-9-13-3-5-14(6-4-13)10-18-8-7-16-11-18/h3-8,11-12H,9-10H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyWUCDGBJYCDGBIY-GFCCVEGCSA-N
MW321.40 g/mol
LogP0.98
Rot. Bonds6

About (2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide

(2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide (PubChem CID 94029530) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is (2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide
PubChem CID94029530
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name(2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide
SMILESC[C@H](C(=O)NCc1ccc(Cn2ccnc2)cc1)S(C)(=O)=O
InChIInChI=1S/C15H19N3O3S/c1-12(22(2,20)21)15(19)17-9-13-3-5-14(6-4-13)10-18-8-7-16-11-18/h3-8,11-12H,9-10H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyWUCDGBJYCDGBIY-GFCCVEGCSA-N
XLogP0.98
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 37426840
(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide
CID 51946192
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34906685
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 37422955
(2R)-2-[(3aR,4R,7R,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
CID 98787486
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426208
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 110916065
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 37423988
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
CID 37423564
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 34906914
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide
CID 37425289

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide (CID 94029530) is (2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide is C[C@H](C(=O)NCc1ccc(Cn2ccnc2)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide?
The InChIKey is WUCDGBJYCDGBIY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-12(22(2,20)21)15(19)17-9-13-3-5-14(6-4-13)10-18-8-7-16-11-18/h3-8,11-12H,9-10H2,1-2H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide?
(2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide has a molecular weight of 321.40 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 94029530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).