N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide

C15H23Cl2N3O3S — CID 113138429

IUPACN-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
SMILESCN(C)CCCN(CCC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H23Cl2N3O3S/c1-19(2)8-4-9-20(24(3,22)23)10-7-15(21)18-12-5-6-13(16)14(17)11-12/h5-6,11H,4,7-10H2,1-3H3,(H,18,21)
InChIKeyCLDGMYXNCXMAOF-UHFFFAOYSA-N
MW396.34 g/mol
LogP2.54
Rot. Bonds9

About N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide

N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide (PubChem CID 113138429) has the molecular formula C15H23Cl2N3O3S and a molecular weight of 396.34 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
PubChem CID113138429
Molecular FormulaC15H23Cl2N3O3S
Molecular Weight396.34 g/mol
Exact Mass395.08
IUPAC NameN-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
SMILESCN(C)CCCN(CCC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H23Cl2N3O3S/c1-19(2)8-4-9-20(24(3,22)23)10-7-15(21)18-12-5-6-13(16)14(17)11-12/h5-6,11H,4,7-10H2,1-3H3,(H,18,21)
InChIKeyCLDGMYXNCXMAOF-UHFFFAOYSA-N
XLogP2.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113136025
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide
CID 113138377
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113138423
N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135971
N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138221
N-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138231
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dichlorophenyl)propanamide
CID 113117622
N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138183
N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694949
N-(1,3-benzodioxol-5-yl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138212
N-(3-chloro-4-fluorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137731
N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148609

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide (CID 113138429) is N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide is CN(C)CCCN(CCC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide?
The InChIKey is CLDGMYXNCXMAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3O3S/c1-19(2)8-4-9-20(24(3,22)23)10-7-15(21)18-12-5-6-13(16)14(17)11-12/h5-6,11H,4,7-10H2,1-3H3,(H,18,21).
What are the key properties of N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide?
N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide has a molecular weight of 396.34 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113138429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).