2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide

C13H20ClN3O4S — CID 108572712

IUPAC2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCCNS(=O)(=O)N(C)C
InChIInChI=1S/C13H20ClN3O4S/c1-10(21-12-6-4-11(14)5-7-12)13(18)15-8-9-16-22(19,20)17(2)3/h4-7,10,16H,8-9H2,1-3H3,(H,15,18)
InChIKeyIPVBLZZDJRXZLR-UHFFFAOYSA-N
MW349.84 g/mol
LogP0.62
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide

2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide (PubChem CID 108572712) has the molecular formula C13H20ClN3O4S and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide
PubChem CID108572712
Molecular FormulaC13H20ClN3O4S
Molecular Weight349.84 g/mol
Exact Mass349.09
IUPAC Name2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCCNS(=O)(=O)N(C)C
InChIInChI=1S/C13H20ClN3O4S/c1-10(21-12-6-4-11(14)5-7-12)13(18)15-8-9-16-22(19,20)17(2)3/h4-7,10,16H,8-9H2,1-3H3,(H,15,18)
InChIKeyIPVBLZZDJRXZLR-UHFFFAOYSA-N
XLogP0.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 50.62
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

2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
CID 108541480
(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
CID 41368435
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108572703
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide
CID 134039933
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide
CID 177371106
(2S)-4-[2-(4-chlorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107834513
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
CID 8887384
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282388

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide (CID 108572712) is 2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)NCCNS(=O)(=O)N(C)C.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide?
The InChIKey is IPVBLZZDJRXZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O4S/c1-10(21-12-6-4-11(14)5-7-12)13(18)15-8-9-16-22(19,20)17(2)3/h4-7,10,16H,8-9H2,1-3H3,(H,15,18).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide?
2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide has a molecular weight of 349.84 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide is sourced from PubChem (CID 108572712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).