N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide

C13H19BrN2O3S — CID 113062819

IUPACN-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
SMILESCCCS(=O)(=O)NCCN(C(C)=O)c1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O3S/c1-3-9-20(18,19)15-7-8-16(11(2)17)13-6-4-5-12(14)10-13/h4-6,10,15H,3,7-9H2,1-2H3
InChIKeySXJPMJSGMFCYFR-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.13
Rot. Bonds7

About N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide

N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide (PubChem CID 113062819) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
PubChem CID113062819
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC NameN-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
SMILESCCCS(=O)(=O)NCCN(C(C)=O)c1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O3S/c1-3-9-20(18,19)15-7-8-16(11(2)17)13-6-4-5-12(14)10-13/h4-6,10,15H,3,7-9H2,1-2H3
InChIKeySXJPMJSGMFCYFR-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062931
N-(3-bromophenyl)-N-propylacetamide
CID 67272874
N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113063583
N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
CID 113062766
N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113059773
N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 113061347
3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide
CID 51104006
N-(3-chlorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059569
N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113059573
N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide
CID 113058249
N-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113058917
N-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide
CID 19760221

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide (CID 113062819) is N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide is CCCS(=O)(=O)NCCN(C(C)=O)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
The InChIKey is SXJPMJSGMFCYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-3-9-20(18,19)15-7-8-16(11(2)17)13-6-4-5-12(14)10-13/h4-6,10,15H,3,7-9H2,1-2H3.
What are the key properties of N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide has a molecular weight of 363.28 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113062819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).