N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide

C14H20N2O4S — CID 110315369

IUPACN-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide
SMILESCc1cc(S(N)(=O)=O)c(C)cc1OCCNC(=O)C1CC1
InChIInChI=1S/C14H20N2O4S/c1-9-8-13(21(15,18)19)10(2)7-12(9)20-6-5-16-14(17)11-3-4-11/h7-8,11H,3-6H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyHOMTZTMIYOFZNF-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.86
Rot. Bonds6

About N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide

N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide (PubChem CID 110315369) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide
PubChem CID110315369
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide
SMILESCc1cc(S(N)(=O)=O)c(C)cc1OCCNC(=O)C1CC1
InChIInChI=1S/C14H20N2O4S/c1-9-8-13(21(15,18)19)10(2)7-12(9)20-6-5-16-14(17)11-3-4-11/h7-8,11H,3-6H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyHOMTZTMIYOFZNF-UHFFFAOYSA-N
XLogP0.86
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide
CID 43164561
N-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 39944100
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 108573631
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide
CID 113101778
N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
CID 113099100
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119742919
N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide
CID 39375555
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
4-but-2-ynoxy-2,5-dimethylbenzenesulfonamide
CID 82912944
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide
CID 2994102
N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide
CID 54403626

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide (CID 110315369) is N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide is Cc1cc(S(N)(=O)=O)c(C)cc1OCCNC(=O)C1CC1.
What is the InChIKey of N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide?
The InChIKey is HOMTZTMIYOFZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9-8-13(21(15,18)19)10(2)7-12(9)20-6-5-16-14(17)11-3-4-11/h7-8,11H,3-6H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide?
N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 110315369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).