N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide

C14H21BrN2O3S — CID 113062766

IUPACN-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
SMILESCCCCS(=O)(=O)NCCN(C(C)=O)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O3S/c1-3-4-11-21(19,20)16-9-10-17(12(2)18)14-8-6-5-7-13(14)15/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyXNOUJORUNLZMDU-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.52
Rot. Bonds8

About N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide

N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide (PubChem CID 113062766) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
PubChem CID113062766
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC NameN-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
SMILESCCCCS(=O)(=O)NCCN(C(C)=O)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O3S/c1-3-4-11-21(19,20)16-9-10-17(12(2)18)14-8-6-5-7-13(14)15/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyXNOUJORUNLZMDU-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide
CID 113058249
N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide
CID 113063208
N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113059773
N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 113061347
N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062819
N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide
CID 113062718
N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062931
N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113063583
N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054971
N-(2-bromophenyl)-N-but-3-enylacetamide
CID 15062818
N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113059789
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113058668

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide (CID 113062766) is N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide is CCCCS(=O)(=O)NCCN(C(C)=O)c1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide?
The InChIKey is XNOUJORUNLZMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-3-4-11-21(19,20)16-9-10-17(12(2)18)14-8-6-5-7-13(14)15/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide?
N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide has a molecular weight of 377.30 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113062766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).