N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide

C16H22N4O4S — CID 6491904

IUPACN-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1NC(C)=O
InChIInChI=1S/C16H22N4O4S/c1-3-24-16-6-5-14(11-15(16)19-13(2)21)25(22,23)18-7-4-9-20-10-8-17-12-20/h5-6,8,10-12,18H,3-4,7,9H2,1-2H3,(H,19,21)
InChIKeyOCKGQEGOJDLTRW-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.61
Rot. Bonds9

About N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide

N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide (PubChem CID 6491904) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide
PubChem CID6491904
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1NC(C)=O
InChIInChI=1S/C16H22N4O4S/c1-3-24-16-6-5-14(11-15(16)19-13(2)21)25(22,23)18-7-4-9-20-10-8-17-12-20/h5-6,8,10-12,18H,3-4,7,9H2,1-2H3,(H,19,21)
InChIKeyOCKGQEGOJDLTRW-UHFFFAOYSA-N
XLogP1.61
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide
CID 110446281
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 59191347
N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
3-acetamido-4-ethoxybenzenesulfonic acid
CID 82483875
1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 53278342
3-amino-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
CID 61325505
3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 94759078
3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
CID 37498541
N-(3-imidazol-1-ylpropyl)-4-methylsulfanylbenzenesulfonamide
CID 6459195
6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 28828807

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide (CID 6491904) is N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide is CCOc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1NC(C)=O.
What is the InChIKey of N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide?
The InChIKey is OCKGQEGOJDLTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-3-24-16-6-5-14(11-15(16)19-13(2)21)25(22,23)18-7-4-9-20-10-8-17-12-20/h5-6,8,10-12,18H,3-4,7,9H2,1-2H3,(H,19,21).
What are the key properties of N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide?
N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide has a molecular weight of 366.44 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 6491904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).