2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide

C21H23N3O4S — CID 78876975

IUPAC2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)S(=O)(=O)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C21H23N3O4S/c1-16(21(25)23-18-10-6-7-11-19(18)28-2)29(26,27)15-20-22-12-13-24(20)14-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3,(H,23,25)
InChIKeyVGGGGPMXLPNCFO-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.88
Rot. Bonds8

About 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide

2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide (PubChem CID 78876975) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
PubChem CID78876975
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)S(=O)(=O)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C21H23N3O4S/c1-16(21(25)23-18-10-6-7-11-19(18)28-2)29(26,27)15-20-22-12-13-24(20)14-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3,(H,23,25)
InChIKeyVGGGGPMXLPNCFO-UHFFFAOYSA-N
XLogP2.88
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide
CID 78877155
2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 42961403
(2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 51946841
2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 86927857
1-[(1-benzylpyrrol-2-yl)methyl]-3-(2-methoxyphenyl)-1-propan-2-ylurea
CID 5004294
1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole
CID 86989667
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide
CID 78876781
3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
CID 84704499
2-(1-benzylimidazol-2-yl)sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16580437
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole
CID 86989671
1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea
CID 2544645

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide (CID 78876975) is 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)S(=O)(=O)Cc1nccn1Cc1ccccc1.
What is the InChIKey of 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is VGGGGPMXLPNCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-16(21(25)23-18-10-6-7-11-19(18)28-2)29(26,27)15-20-22-12-13-24(20)14-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3,(H,23,25).
What are the key properties of 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide?
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 413.50 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 78876975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).