N-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide

C17H23N3O4S — CID 47075882

IUPACN-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide
SMILESCCCCOCCNC(=O)CS(=O)(=O)c1nccn1-c1ccccc1
InChIInChI=1S/C17H23N3O4S/c1-2-3-12-24-13-10-18-16(21)14-25(22,23)17-19-9-11-20(17)15-7-5-4-6-8-15/h4-9,11H,2-3,10,12-14H2,1H3,(H,18,21)
InChIKeyPESWHOQYPDGJMT-UHFFFAOYSA-N
MW365.45 g/mol
LogP1.58
Rot. Bonds10

About N-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide

N-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide (PubChem CID 47075882) has the molecular formula C17H23N3O4S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide
PubChem CID47075882
Molecular FormulaC17H23N3O4S
Molecular Weight365.45 g/mol
Exact Mass365.14
IUPAC NameN-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide
SMILESCCCCOCCNC(=O)CS(=O)(=O)c1nccn1-c1ccccc1
InChIInChI=1S/C17H23N3O4S/c1-2-3-12-24-13-10-18-16(21)14-25(22,23)17-19-9-11-20(17)15-7-5-4-6-8-15/h4-9,11H,2-3,10,12-14H2,1H3,(H,18,21)
InChIKeyPESWHOQYPDGJMT-UHFFFAOYSA-N
XLogP1.58
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide
CID 87023768
N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide
CID 17309477
N-(3-butoxypropyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 30285041
methyl 2-(2-butoxyethylsulfamoyl)benzoate
CID 103833549
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
2-(5-amino-2-pyridinyl)-N-(2-butoxyethyl)acetamide
CID 107338236
2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide
CID 4669568
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
1-amino-N-(2-butoxyethyl)isoquinoline-4-carboxamide
CID 106771455
N-(3-butoxypropyl)-2-(2-hydroxyphenyl)acetamide
CID 115601163
2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid
CID 122055349
4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide
CID 63375414

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide?
The IUPAC name of N-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide (CID 47075882) is N-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide.
What is the SMILES notation for N-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide?
The canonical SMILES for N-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide is CCCCOCCNC(=O)CS(=O)(=O)c1nccn1-c1ccccc1.
What is the InChIKey of N-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide?
The InChIKey is PESWHOQYPDGJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-2-3-12-24-13-10-18-16(21)14-25(22,23)17-19-9-11-20(17)15-7-5-4-6-8-15/h4-9,11H,2-3,10,12-14H2,1H3,(H,18,21).
What are the key properties of N-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide?
N-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide has a molecular weight of 365.45 g/mol, XLogP of 1.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide is sourced from PubChem (CID 47075882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).