N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide

C14H21Cl2N3O3S — CID 113138221

IUPACN-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
SMILESCN(C)CCN(CCC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H21Cl2N3O3S/c1-18(2)6-7-19(23(3,21)22)5-4-14(20)17-13-9-11(15)8-12(16)10-13/h8-10H,4-7H2,1-3H3,(H,17,20)
InChIKeyCFLDXNYVSPEGNG-UHFFFAOYSA-N
MW382.31 g/mol
LogP2.15
Rot. Bonds8

About N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide

N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide (PubChem CID 113138221) has the molecular formula C14H21Cl2N3O3S and a molecular weight of 382.31 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
PubChem CID113138221
Molecular FormulaC14H21Cl2N3O3S
Molecular Weight382.31 g/mol
Exact Mass381.07
IUPAC NameN-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
SMILESCN(C)CCN(CCC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H21Cl2N3O3S/c1-18(2)6-7-19(23(3,21)22)5-4-14(20)17-13-9-11(15)8-12(16)10-13/h8-10H,4-7H2,1-3H3,(H,17,20)
InChIKeyCFLDXNYVSPEGNG-UHFFFAOYSA-N
XLogP2.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141365
N-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138231
N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138429
N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138183
3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113137508
N-(3,5-dichlorophenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464486
3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide
CID 113136739
N-(1,3-benzodioxol-5-yl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138212
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide
CID 113138377
N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138109
N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113136025
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 113138157

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide (CID 113138221) is N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide is CN(C)CCN(CCC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide?
The InChIKey is CFLDXNYVSPEGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O3S/c1-18(2)6-7-19(23(3,21)22)5-4-14(20)17-13-9-11(15)8-12(16)10-13/h8-10H,4-7H2,1-3H3,(H,17,20).
What are the key properties of N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide?
N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide has a molecular weight of 382.31 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113138221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).