N-(1H-imidazol-2-ylmethyl)-2-methylsulfonyl-N-[(2-phenylphenyl)methyl]acetamide

C20H21N3O3S — CID 42796353

IUPACN-(1H-imidazol-2-ylmethyl)-2-methylsulfonyl-N-[(2-phenylphenyl)methyl]acetamide
SMILESCS(=O)(=O)CC(=O)N(Cc1ncc[nH]1)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C20H21N3O3S/c1-27(25,26)15-20(24)23(14-19-21-11-12-22-19)13-17-9-5-6-10-18(17)16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H,21,22)
InChIKeyGCZKGMXNDURHHK-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.65
Rot. Bonds7

About N-(1H-imidazol-2-ylmethyl)-2-methylsulfonyl-N-[(2-phenylphenyl)methyl]acetamide

N-(1H-imidazol-2-ylmethyl)-2-methylsulfonyl-N-[(2-phenylphenyl)methyl]acetamide (PubChem CID 42796353) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-methylsulfonyl-N-[(2-phenylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-methylsulfonyl-N-[(2-phenylphenyl)methyl]acetamide
PubChem CID42796353
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-methylsulfonyl-N-[(2-phenylphenyl)methyl]acetamide
SMILESCS(=O)(=O)CC(=O)N(Cc1ncc[nH]1)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C20H21N3O3S/c1-27(25,26)15-20(24)23(14-19-21-11-12-22-19)13-17-9-5-6-10-18(17)16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H,21,22)
InChIKeyGCZKGMXNDURHHK-UHFFFAOYSA-N
XLogP2.65
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methylsulfonyl-N-[(2-phenylphenyl)methyl]acetamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methylsulfonyl-N-[(2-phenylphenyl)methyl]acetamide (CID 42796353) is N-(1H-imidazol-2-ylmethyl)-2-methylsulfonyl-N-[(2-phenylphenyl)methyl]acetamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-methylsulfonyl-N-[(2-phenylphenyl)methyl]acetamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-methylsulfonyl-N-[(2-phenylphenyl)methyl]acetamide is CS(=O)(=O)CC(=O)N(Cc1ncc[nH]1)Cc1ccccc1-c1ccccc1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-methylsulfonyl-N-[(2-phenylphenyl)methyl]acetamide?
The InChIKey is GCZKGMXNDURHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-27(25,26)15-20(24)23(14-19-21-11-12-22-19)13-17-9-5-6-10-18(17)16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H,21,22).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-methylsulfonyl-N-[(2-phenylphenyl)methyl]acetamide?
N-(1H-imidazol-2-ylmethyl)-2-methylsulfonyl-N-[(2-phenylphenyl)methyl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-methylsulfonyl-N-[(2-phenylphenyl)methyl]acetamide is sourced from PubChem (CID 42796353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).