N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide

C13H19ClN2O4S — CID 82917275

IUPACN-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide
SMILESCCC(C)NC(=O)C(C)Oc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C13H19ClN2O4S/c1-4-8(2)16-13(17)9(3)20-11-6-5-10(14)7-12(11)21(15,18)19/h5-9H,4H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyNMGITKNTKCHWCP-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.67
Rot. Bonds6

About N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide

N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide (PubChem CID 82917275) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide
PubChem CID82917275
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC NameN-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide
SMILESCCC(C)NC(=O)C(C)Oc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C13H19ClN2O4S/c1-4-8(2)16-13(17)9(3)20-11-6-5-10(14)7-12(11)21(15,18)19/h5-9H,4H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyNMGITKNTKCHWCP-UHFFFAOYSA-N
XLogP1.67
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
CID 43324858
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide
CID 62304828
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
2-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]-N-pentan-2-ylpropanamide
CID 63366584
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283555
2-[1-(butylamino)-1-oxopropan-2-yl]oxy-5-chlorobenzenesulfonyl chloride
CID 82911347
2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide
CID 4098989
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate
CID 60718359
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 81047647

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide?
The IUPAC name of N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide (CID 82917275) is N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide?
The canonical SMILES for N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide is CCC(C)NC(=O)C(C)Oc1ccc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide?
The InChIKey is NMGITKNTKCHWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-4-8(2)16-13(17)9(3)20-11-6-5-10(14)7-12(11)21(15,18)19/h5-9H,4H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide?
N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide has a molecular weight of 334.83 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide is sourced from PubChem (CID 82917275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).