3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide

C19H19N3O3S — CID 47084197

IUPAC3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(S(C)(=O)=O)c1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H19N3O3S/c1-13(18-20-12-17(22-18)14-7-4-3-5-8-14)21-19(23)15-9-6-10-16(11-15)26(2,24)25/h3-13H,1-2H3,(H,20,22)(H,21,23)
InChIKeyBSIZWHZNSWBYNR-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.97
Rot. Bonds5

About 3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide

3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide (PubChem CID 47084197) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
PubChem CID47084197
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(S(C)(=O)=O)c1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H19N3O3S/c1-13(18-20-12-17(22-18)14-7-4-3-5-8-14)21-19(23)15-9-6-10-16(11-15)26(2,24)25/h3-13H,1-2H3,(H,20,22)(H,21,23)
InChIKeyBSIZWHZNSWBYNR-UHFFFAOYSA-N
XLogP2.97
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 94798661
methyl 3-[[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamoyl]benzoate
CID 99791199
2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 47084192
5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95301132
2,5-dimethyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 56822371
2,5-dimethyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 95595238
2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 47084188
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 95979997
1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea
CID 94825570
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
CID 94779070
methyl (2R)-2-[(3-methylsulfonylbenzoyl)amino]propanoate
CID 113257877
3-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 16774130

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide (CID 47084197) is 3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide is CC(NC(=O)c1cccc(S(C)(=O)=O)c1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide?
The InChIKey is BSIZWHZNSWBYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13(18-20-12-17(22-18)14-7-4-3-5-8-14)21-19(23)15-9-6-10-16(11-15)26(2,24)25/h3-13H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide?
3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide has a molecular weight of 369.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 47084197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).