N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide

C14H22BrN3O3S — CID 113138183

IUPACN-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
SMILESCN(C)CCN(CCC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22BrN3O3S/c1-17(2)10-11-18(22(3,20)21)9-8-14(19)16-13-6-4-12(15)5-7-13/h4-7H,8-11H2,1-3H3,(H,16,19)
InChIKeyIIRVBEIDKTVLMA-UHFFFAOYSA-N
MW392.32 g/mol
LogP1.60
Rot. Bonds8

About N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide

N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide (PubChem CID 113138183) has the molecular formula C14H22BrN3O3S and a molecular weight of 392.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
PubChem CID113138183
Molecular FormulaC14H22BrN3O3S
Molecular Weight392.32 g/mol
Exact Mass391.06
IUPAC NameN-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
SMILESCN(C)CCN(CCC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22BrN3O3S/c1-17(2)10-11-18(22(3,20)21)9-8-14(19)16-13-6-4-12(15)5-7-13/h4-7H,8-11H2,1-3H3,(H,16,19)
InChIKeyIIRVBEIDKTVLMA-UHFFFAOYSA-N
XLogP1.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
CID 113149884
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide
CID 113138377
N-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138231
N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138221
N-(1,3-benzodioxol-5-yl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138212
N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138429
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 113138157
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977
N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141326
N-(4-bromophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153304
N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141316
3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide
CID 113141302

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide?
The IUPAC name of N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide (CID 113138183) is N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide is CN(C)CCN(CCC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide?
The InChIKey is IIRVBEIDKTVLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O3S/c1-17(2)10-11-18(22(3,20)21)9-8-14(19)16-13-6-4-12(15)5-7-13/h4-7H,8-11H2,1-3H3,(H,16,19).
What are the key properties of N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide?
N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide has a molecular weight of 392.32 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113138183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).