2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide

C14H21BrN2O3S — CID 113064894

IUPAC2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide
SMILESCCCN(CCNC(=O)Cc1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C14H21BrN2O3S/c1-3-9-17(21(2,19)20)10-8-16-14(18)11-12-6-4-5-7-13(12)15/h4-7H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyZRBKRHRWWDBDQA-UHFFFAOYSA-N
MW377.30 g/mol
LogP1.78
Rot. Bonds8

About 2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide

2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide (PubChem CID 113064894) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide
PubChem CID113064894
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide
SMILESCCCN(CCNC(=O)Cc1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C14H21BrN2O3S/c1-3-9-17(21(2,19)20)10-8-16-14(18)11-12-6-4-5-7-13(12)15/h4-7H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyZRBKRHRWWDBDQA-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-N-pentylacetamide
CID 113098374
4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide
CID 113064845
2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
CID 112995770
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide
CID 113052708
2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068243
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790
3-[[2-(2-bromophenyl)acetyl]amino]propanoic acid
CID 115729925
N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065345
N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113071547
2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide
CID 113068320
N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide
CID 113057598
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065386

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide (CID 113064894) is 2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide is CCCN(CCNC(=O)Cc1ccccc1Br)S(C)(=O)=O.
What is the InChIKey of 2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide?
The InChIKey is ZRBKRHRWWDBDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-3-9-17(21(2,19)20)10-8-16-14(18)11-12-6-4-5-7-13(12)15/h4-7H,3,8-11H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide?
2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide has a molecular weight of 377.30 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide is sourced from PubChem (CID 113064894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).