N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide

C15H22Cl2N2O3S — CID 113141365

IUPACN-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
SMILESCCCCCN(CCC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O3S/c1-3-4-5-7-19(23(2,21)22)8-6-15(20)18-14-10-12(16)9-13(17)11-14/h9-11H,3-8H2,1-2H3,(H,18,20)
InChIKeyVDOSCXAZBKWSLD-UHFFFAOYSA-N
MW381.33 g/mol
LogP3.77
Rot. Bonds9

About N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide

N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide (PubChem CID 113141365) has the molecular formula C15H22Cl2N2O3S and a molecular weight of 381.33 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
PubChem CID113141365
Molecular FormulaC15H22Cl2N2O3S
Molecular Weight381.33 g/mol
Exact Mass380.07
IUPAC NameN-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
SMILESCCCCCN(CCC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O3S/c1-3-4-5-7-19(23(2,21)22)8-6-15(20)18-14-10-12(16)9-13(17)11-14/h9-11H,3-8H2,1-2H3,(H,18,20)
InChIKeyVDOSCXAZBKWSLD-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138221
3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide
CID 113136739
3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide
CID 113141302
N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141326
N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141316
N-(3,5-dichlorophenyl)nonanamide
CID 3459184
N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113136025
3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113136795
N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141371
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141358
3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113137508
N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135966

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide (CID 113141365) is N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide is CCCCCN(CCC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide?
The InChIKey is VDOSCXAZBKWSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O3S/c1-3-4-5-7-19(23(2,21)22)8-6-15(20)18-14-10-12(16)9-13(17)11-14/h9-11H,3-8H2,1-2H3,(H,18,20).
What are the key properties of N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide?
N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide has a molecular weight of 381.33 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide is sourced from PubChem (CID 113141365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).