4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide

C14H21ClN2O4S — CID 108573011

IUPAC4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide
SMILESCCS(=O)(=O)NCCNC(=O)CCCOc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O4S/c1-2-22(19,20)17-10-9-16-14(18)8-5-11-21-13-7-4-3-6-12(13)15/h3-4,6-7,17H,2,5,8-11H2,1H3,(H,16,18)
InChIKeyXBPKVABPBDBABH-UHFFFAOYSA-N
MW348.85 g/mol
LogP1.55
Rot. Bonds10

About 4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide

4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide (PubChem CID 108573011) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide
PubChem CID108573011
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Name4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide
SMILESCCS(=O)(=O)NCCNC(=O)CCCOc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O4S/c1-2-22(19,20)17-10-9-16-14(18)8-5-11-21-13-7-4-3-6-12(13)15/h3-4,6-7,17H,2,5,8-11H2,1H3,(H,16,18)
InChIKeyXBPKVABPBDBABH-UHFFFAOYSA-N
XLogP1.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 51.55
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-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
CID 119499643
3-(2-chlorophenoxy)-N-decylpropanamide
CID 108789478
4-(2-bromo-4-tert-butylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide
CID 108572938
4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide
CID 119508138
4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654441
3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide
CID 108789454
N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119383062
N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide
CID 47038930
2-[4-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119223409
3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861871
3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 39088895
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide (CID 108573011) is 4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide is CCS(=O)(=O)NCCNC(=O)CCCOc1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide?
The InChIKey is XBPKVABPBDBABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S/c1-2-22(19,20)17-10-9-16-14(18)8-5-11-21-13-7-4-3-6-12(13)15/h3-4,6-7,17H,2,5,8-11H2,1H3,(H,16,18).
What are the key properties of 4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide?
4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide has a molecular weight of 348.85 g/mol, XLogP of 1.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide is sourced from PubChem (CID 108573011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).