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

C13H20BrN3O3S — CID 113149884

IUPACN-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
SMILESCN(C)CCN(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C13H20BrN3O3S/c1-16(2)8-9-17(21(3,19)20)10-13(18)15-12-6-4-11(14)5-7-12/h4-7H,8-10H2,1-3H3,(H,15,18)
InChIKeyKNAKUPZLTKCMQR-UHFFFAOYSA-N
MW378.29 g/mol
LogP1.21
Rot. Bonds7

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

N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide (PubChem CID 113149884) has the molecular formula C13H20BrN3O3S and a molecular weight of 378.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
PubChem CID113149884
Molecular FormulaC13H20BrN3O3S
Molecular Weight378.29 g/mol
Exact Mass377.04
IUPAC NameN-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
SMILESCN(C)CCN(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C13H20BrN3O3S/c1-16(2)8-9-17(21(3,19)20)10-13(18)15-12-6-4-11(14)5-7-12/h4-7H,8-10H2,1-3H3,(H,15,18)
InChIKeyKNAKUPZLTKCMQR-UHFFFAOYSA-N
XLogP1.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138183
N-(4-bromophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153304
ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]benzoate
CID 113149927
N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150229
N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147567
N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147556
N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147615
2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113149929
N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150212
N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149708
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113149314
N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149554

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide (CID 113149884) is N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide is CN(C)CCN(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide?
The InChIKey is KNAKUPZLTKCMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3S/c1-16(2)8-9-17(21(3,19)20)10-13(18)15-12-6-4-11(14)5-7-12/h4-7H,8-10H2,1-3H3,(H,15,18).
What are the key properties of N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide?
N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide has a molecular weight of 378.29 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113149884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).