N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide

C14H22BrN3O3S — CID 113150212

IUPACN-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
SMILESCN(C)CCCN(CC(=O)Nc1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C14H22BrN3O3S/c1-17(2)9-6-10-18(22(3,20)21)11-14(19)16-13-8-5-4-7-12(13)15/h4-5,7-8H,6,9-11H2,1-3H3,(H,16,19)
InChIKeyUNNWZSBLKLCSOW-UHFFFAOYSA-N
MW392.32 g/mol
LogP1.60
Rot. Bonds8

About N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide

N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide (PubChem CID 113150212) has the molecular formula C14H22BrN3O3S and a molecular weight of 392.32 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
PubChem CID113150212
Molecular FormulaC14H22BrN3O3S
Molecular Weight392.32 g/mol
Exact Mass391.06
IUPAC NameN-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
SMILESCN(C)CCCN(CC(=O)Nc1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C14H22BrN3O3S/c1-17(2)9-6-10-18(22(3,20)21)11-14(19)16-13-8-5-4-7-12(13)15/h4-5,7-8H,6,9-11H2,1-3H3,(H,16,19)
InChIKeyUNNWZSBLKLCSOW-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-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
CID 2223290
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113150231
N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583681
N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151708
N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150102
N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
CID 113149884
2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide
CID 45371859
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113150198
N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153470
N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 30169089
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-propan-2-ylsulfonylpropanamide
CID 55967009

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide (CID 113150212) is N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide is CN(C)CCCN(CC(=O)Nc1ccccc1Br)S(C)(=O)=O.
What is the InChIKey of N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide?
The InChIKey is UNNWZSBLKLCSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O3S/c1-17(2)9-6-10-18(22(3,20)21)11-14(19)16-13-8-5-4-7-12(13)15/h4-5,7-8H,6,9-11H2,1-3H3,(H,16,19).
What are the key properties of N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide?
N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide 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-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113150212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).