N-(2,5-diethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide

C16H22N4O5S — CID 3236865

IUPACN-(2,5-diethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C16H22N4O5S/c1-4-24-12-6-7-14(25-5-2)13(8-12)19-15(21)10-20(3)26(22,23)16-9-17-11-18-16/h6-9,11H,4-5,10H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyLRZDWHXTVMDOST-UHFFFAOYSA-N
MW382.44 g/mol
LogP1.47
Rot. Bonds9

About N-(2,5-diethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide

N-(2,5-diethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide (PubChem CID 3236865) has the molecular formula C16H22N4O5S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
PubChem CID3236865
Molecular FormulaC16H22N4O5S
Molecular Weight382.44 g/mol
Exact Mass382.13
IUPAC NameN-(2,5-diethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C16H22N4O5S/c1-4-24-12-6-7-14(25-5-2)13(8-12)19-15(21)10-20(3)26(22,23)16-9-17-11-18-16/h6-9,11H,4-5,10H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyLRZDWHXTVMDOST-UHFFFAOYSA-N
XLogP1.47
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-N-methyl-1H-imidazole-5-sulfonamide
CID 20938153
1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 5307461
[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 5309632
1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine
CID 5309722
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide
CID 9551091
2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-p-phenetyl-acetamide
CID 16011827
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 16020395
N-(2,5-diethoxyphenyl)-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3238282
N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5309037
N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide
CID 6491904
2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9551089
N~1~-(2-ethoxyphenyl)-N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methylglycinamide
CID 16195326

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide (CID 3236865) is N-(2,5-diethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide is CCOc1ccc(OCC)c(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The InChIKey is LRZDWHXTVMDOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5S/c1-4-24-12-6-7-14(25-5-2)13(8-12)19-15(21)10-20(3)26(22,23)16-9-17-11-18-16/h6-9,11H,4-5,10H2,1-3H3,(H,17,18)(H,19,21).
What are the key properties of N-(2,5-diethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
N-(2,5-diethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide has a molecular weight of 382.44 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide is sourced from PubChem (CID 3236865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).