3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide

C23H28N4O5S — CID 55453424

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC(c2ccccc2OC)c2nccn2C)cc1
InChIInChI=1S/C23H28N4O5S/c1-4-32-17-9-11-18(12-10-17)33(29,30)25-14-13-21(28)26-22(23-24-15-16-27(23)2)19-7-5-6-8-20(19)31-3/h5-12,15-16,22,25H,4,13-14H2,1-3H3,(H,26,28)
InChIKeyNVKQXUFQBWAHAJ-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.40
Rot. Bonds11

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 55453424) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID55453424
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC(c2ccccc2OC)c2nccn2C)cc1
InChIInChI=1S/C23H28N4O5S/c1-4-32-17-9-11-18(12-10-17)33(29,30)25-14-13-21(28)26-22(23-24-15-16-27(23)2)19-7-5-6-8-20(19)31-3/h5-12,15-16,22,25H,4,13-14H2,1-3H3,(H,26,28)
InChIKeyNVKQXUFQBWAHAJ-UHFFFAOYSA-N
XLogP2.40
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea
CID 55597814
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N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide
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2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
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3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 24819717
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-nitrophenyl)acetamide
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N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide
CID 51269492
methyl 4-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]benzoate
CID 25352670
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 41023767
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057
2-(3-hydroxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 86865733
3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide (CID 55453424) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NC(c2ccccc2OC)c2nccn2C)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is NVKQXUFQBWAHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-4-32-17-9-11-18(12-10-17)33(29,30)25-14-13-21(28)26-22(23-24-15-16-27(23)2)19-7-5-6-8-20(19)31-3/h5-12,15-16,22,25H,4,13-14H2,1-3H3,(H,26,28).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 472.57 g/mol, XLogP of 2.40, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 55453424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).