N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide

C14H19BrN2O4S — CID 113149708

IUPACN-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)CC1CCCO1
InChIInChI=1S/C14H19BrN2O4S/c1-22(19,20)17(9-13-3-2-8-21-13)10-14(18)16-12-6-4-11(15)5-7-12/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyKMEJCIZMNVNIBG-UHFFFAOYSA-N
MW391.29 g/mol
LogP1.83
Rot. Bonds6

About N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide

N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 113149708) has the molecular formula C14H19BrN2O4S and a molecular weight of 391.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
PubChem CID113149708
Molecular FormulaC14H19BrN2O4S
Molecular Weight391.29 g/mol
Exact Mass390.02
IUPAC NameN-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)CC1CCCO1
InChIInChI=1S/C14H19BrN2O4S/c1-22(19,20)17(9-13-3-2-8-21-13)10-14(18)16-12-6-4-11(15)5-7-12/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyKMEJCIZMNVNIBG-UHFFFAOYSA-N
XLogP1.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 113149672
N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149685
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149682
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149739
N-(3-methylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149674
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113149591
N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149615
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138003
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
CID 113149884
2-(4-bromo-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3252615
N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149638

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide (CID 113149708) is N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)CC1CCCO1.
What is the InChIKey of N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is KMEJCIZMNVNIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4S/c1-22(19,20)17(9-13-3-2-8-21-13)10-14(18)16-12-6-4-11(15)5-7-12/h4-7,13H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 391.29 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 113149708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).