4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide

C17H19ClN2O4S — CID 26580576

IUPAC4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O4S/c1-12-10-13(18)7-8-16(12)24-9-3-6-17(21)20-14-4-2-5-15(11-14)25(19,22)23/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyBJMXBAZZFSNPHV-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.09
Rot. Bonds7

About 4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide

4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide (PubChem CID 26580576) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide
PubChem CID26580576
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O4S/c1-12-10-13(18)7-8-16(12)24-9-3-6-17(21)20-14-4-2-5-15(11-14)25(19,22)23/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyBJMXBAZZFSNPHV-UHFFFAOYSA-N
XLogP3.09
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.09
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-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide
CID 26722725
4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide
CID 17485300
2-(2,4-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 9413124
N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4174963
4-(4-chloro-2-methylphenoxy)-N-[4-[4-[4-(4-chloro-2-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 5198436
4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 18074478
2-(2,5-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7185045
4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide
CID 4640199
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
4-(4-chloro-2-methylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)butanamide
CID 35978441
2-(4-chloro-2-methylphenoxy)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 31916474
4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide (CID 26580576) is 4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide is Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide?
The InChIKey is BJMXBAZZFSNPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-12-10-13(18)7-8-16(12)24-9-3-6-17(21)20-14-4-2-5-15(11-14)25(19,22)23/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide?
4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide has a molecular weight of 382.87 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide is sourced from PubChem (CID 26580576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).