3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide

C15H22Cl2N2O3S — CID 113141414

IUPAC3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCN(CCc1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O3S/c1-3-8-18-15(20)7-10-19(23(2,21)22)9-6-12-4-5-13(16)11-14(12)17/h4-5,11H,3,6-10H2,1-2H3,(H,18,20)
InChIKeyYOXMSONAQZJUNK-UHFFFAOYSA-N
MW381.33 g/mol
LogP2.71
Rot. Bonds9

About 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide

3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide (PubChem CID 113141414) has the molecular formula C15H22Cl2N2O3S and a molecular weight of 381.33 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide
PubChem CID113141414
Molecular FormulaC15H22Cl2N2O3S
Molecular Weight381.33 g/mol
Exact Mass380.07
IUPAC Name3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCN(CCc1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O3S/c1-3-8-18-15(20)7-10-19(23(2,21)22)9-6-12-4-5-13(16)11-14(12)17/h4-5,11H,3,6-10H2,1-2H3,(H,18,20)
InChIKeyYOXMSONAQZJUNK-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide
CID 113141417
1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea
CID 113068413
1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea
CID 113068414
4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide
CID 21367329
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113136795
N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135966
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9303138
N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide
CID 109006595
N-butyl-3-[(4-chlorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139467
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pentylpropanamide
CID 113139502
N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide
CID 113057117

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide (CID 113141414) is 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide is CCCNC(=O)CCN(CCc1ccc(Cl)cc1Cl)S(C)(=O)=O.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide?
The InChIKey is YOXMSONAQZJUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O3S/c1-3-8-18-15(20)7-10-19(23(2,21)22)9-6-12-4-5-13(16)11-14(12)17/h4-5,11H,3,6-10H2,1-2H3,(H,18,20).
What are the key properties of 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide?
3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide has a molecular weight of 381.33 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 113141414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).