N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide

C13H18Cl2N2O4S — CID 113137781

IUPACN-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
SMILESCOCCN(CCC(=O)Nc1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O4S/c1-21-8-7-17(22(2,19)20)6-5-13(18)16-12-4-3-10(14)9-11(12)15/h3-4,9H,5-8H2,1-2H3,(H,16,18)
InChIKeyAZBDWVYKAVBVCE-UHFFFAOYSA-N
MW369.27 g/mol
LogP2.23
Rot. Bonds8

About N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide

N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide (PubChem CID 113137781) has the molecular formula C13H18Cl2N2O4S and a molecular weight of 369.27 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
PubChem CID113137781
Molecular FormulaC13H18Cl2N2O4S
Molecular Weight369.27 g/mol
Exact Mass368.04
IUPAC NameN-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
SMILESCOCCN(CCC(=O)Nc1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O4S/c1-21-8-7-17(22(2,19)20)6-5-13(18)16-12-4-3-10(14)9-11(12)15/h3-4,9H,5-8H2,1-2H3,(H,16,18)
InChIKeyAZBDWVYKAVBVCE-UHFFFAOYSA-N
XLogP2.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137729
3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113136795
N-(3-chloro-4-fluorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137731
N-(2,4-dichlorophenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138586
3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113117231
N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135966
3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113137715
N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136983
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943222
N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide
CID 61443945

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide (CID 113137781) is N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide is COCCN(CCC(=O)Nc1ccc(Cl)cc1Cl)S(C)(=O)=O.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide?
The InChIKey is AZBDWVYKAVBVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O4S/c1-21-8-7-17(22(2,19)20)6-5-13(18)16-12-4-3-10(14)9-11(12)15/h3-4,9H,5-8H2,1-2H3,(H,16,18).
What are the key properties of N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide?
N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide has a molecular weight of 369.27 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113137781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).