N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide

C14H19Cl2NO3S — CID 55965610

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(NC(=O)C(C)S(=O)(=O)C(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3S/c1-8(2)21(19,20)10(4)14(18)17-9(3)12-6-5-11(15)7-13(12)16/h5-10H,1-4H3,(H,17,18)
InChIKeyVEWHPMGPYJWFLK-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.38
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide

N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide (PubChem CID 55965610) has the molecular formula C14H19Cl2NO3S and a molecular weight of 352.28 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
PubChem CID55965610
Molecular FormulaC14H19Cl2NO3S
Molecular Weight352.28 g/mol
Exact Mass351.05
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(NC(=O)C(C)S(=O)(=O)C(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3S/c1-8(2)21(19,20)10(4)14(18)17-9(3)12-6-5-11(15)7-13(12)16/h5-10H,1-4H3,(H,17,18)
InChIKeyVEWHPMGPYJWFLK-UHFFFAOYSA-N
XLogP3.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide
CID 104897119
N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43163867
2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 116674633
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 9441444
2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 24559842

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide (CID 55965610) is N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide is CC(NC(=O)C(C)S(=O)(=O)C(C)C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide?
The InChIKey is VEWHPMGPYJWFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3S/c1-8(2)21(19,20)10(4)14(18)17-9(3)12-6-5-11(15)7-13(12)16/h5-10H,1-4H3,(H,17,18).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide has a molecular weight of 352.28 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 55965610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).