N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide

C14H21BrN2O3S — CID 113062931

IUPACN-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
SMILESCCCS(=O)(=O)NCCN(C(C)=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H21BrN2O3S/c1-4-9-21(19,20)16-7-8-17(12(3)18)13-5-6-14(15)11(2)10-13/h5-6,10,16H,4,7-9H2,1-3H3
InChIKeyXLTIKGWHUXFEGD-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.44
Rot. Bonds7

About N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide

N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide (PubChem CID 113062931) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
PubChem CID113062931
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC NameN-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
SMILESCCCS(=O)(=O)NCCN(C(C)=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H21BrN2O3S/c1-4-9-21(19,20)16-7-8-17(12(3)18)13-5-6-14(15)11(2)10-13/h5-6,10,16H,4,7-9H2,1-3H3
InChIKeyXLTIKGWHUXFEGD-UHFFFAOYSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113063583
N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062819
N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 113061347
N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
CID 113062766
N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide
CID 113062914
N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113059773
N-[2-(ethylsulfonylamino)ethyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113061132
N-(3,4-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113057963
N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113060257
N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide
CID 113058249
3-(N-acetyl-4-bromo-3-methylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113132786
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide
CID 113057862

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide (CID 113062931) is N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide is CCCS(=O)(=O)NCCN(C(C)=O)c1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
The InChIKey is XLTIKGWHUXFEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-4-9-21(19,20)16-7-8-17(12(3)18)13-5-6-14(15)11(2)10-13/h5-6,10,16H,4,7-9H2,1-3H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide has a molecular weight of 377.30 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113062931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).