2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide

C16H25ClN2O4S — CID 55837892

IUPAC2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)C(C)Oc1cc(C)ccc1Cl
InChIInChI=1S/C16H25ClN2O4S/c1-5-24(21,22)19(4)10-6-9-18-16(20)13(3)23-15-11-12(2)7-8-14(15)17/h7-8,11,13H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyXBUXQBCDGGPITI-UHFFFAOYSA-N
MW376.91 g/mol
LogP2.20
Rot. Bonds9

About 2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide

2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide (PubChem CID 55837892) has the molecular formula C16H25ClN2O4S and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide
PubChem CID55837892
Molecular FormulaC16H25ClN2O4S
Molecular Weight376.91 g/mol
Exact Mass376.12
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)C(C)Oc1cc(C)ccc1Cl
InChIInChI=1S/C16H25ClN2O4S/c1-5-24(21,22)19(4)10-6-9-18-16(20)13(3)23-15-11-12(2)7-8-14(15)17/h7-8,11,13H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyXBUXQBCDGGPITI-UHFFFAOYSA-N
XLogP2.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]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

(2S)-2-(2-chloro-5-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
CID 52515244
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
4-methyl-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid
CID 61379609
2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111470995
2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide
CID 63322427
N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide
CID 82913977
5-[[2-(2-chloro-5-methylphenoxy)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246213
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-pentylpropanamide
CID 63367218
3-[2-(2-chloro-5-methylphenoxy)propanoyl-propan-2-ylamino]propanoic acid
CID 119207616
2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119448453
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
(2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
CID 94207951

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide (CID 55837892) is 2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide is CCS(=O)(=O)N(C)CCCNC(=O)C(C)Oc1cc(C)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide?
The InChIKey is XBUXQBCDGGPITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O4S/c1-5-24(21,22)19(4)10-6-9-18-16(20)13(3)23-15-11-12(2)7-8-14(15)17/h7-8,11,13H,5-6,9-10H2,1-4H3,(H,18,20).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide?
2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide has a molecular weight of 376.91 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide is sourced from PubChem (CID 55837892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).