N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide

C14H22N2O4S — CID 8777676

IUPACN-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
SMILESCCCCCNS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-4-5-6-9-15-21(18,19)12-7-8-14(20-3)13(10-12)16-11(2)17/h7-8,10,15H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyBENMVFOODZCFRG-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.12
Rot. Bonds8

About N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide

N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide (PubChem CID 8777676) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
PubChem CID8777676
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
SMILESCCCCCNS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-4-5-6-9-15-21(18,19)12-7-8-14(20-3)13(10-12)16-11(2)17/h7-8,10,15H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyBENMVFOODZCFRG-UHFFFAOYSA-N
XLogP2.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.12
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

N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide
CID 4983601
N-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide
CID 94141161
3-amino-N-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide
CID 9173546
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8777670
N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 8801525
N-(2-methoxyphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065384
N-[2-methoxy-5-(2-morpholin-4-ylethylsulfamoyl)phenyl]acetamide
CID 8777848
N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100553378
3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 17226790
N-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
CID 46972031
methyl 4-(butylsulfamoyl)-2-methoxybenzoate
CID 167914017

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide (CID 8777676) is N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide is CCCCCNS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1.
What is the InChIKey of N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide?
The InChIKey is BENMVFOODZCFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-5-6-9-15-21(18,19)12-7-8-14(20-3)13(10-12)16-11(2)17/h7-8,10,15H,4-6,9H2,1-3H3,(H,16,17).
What are the key properties of N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide?
N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide has a molecular weight of 314.41 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 8777676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).