N-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide

C10H16BrNO3S2 — CID 55137039

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H16BrNO3S2/c1-3-15-4-5-17(13,14)12(2)7-10-6-9(11)8-16-10/h6,8H,3-5,7H2,1-2H3
InChIKeyKPILMYWDCTUNPG-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.31
Rot. Bonds7

About N-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide

N-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide (PubChem CID 55137039) has the molecular formula C10H16BrNO3S2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide
PubChem CID55137039
Molecular FormulaC10H16BrNO3S2
Molecular Weight342.28 g/mol
Exact Mass340.98
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H16BrNO3S2/c1-3-15-4-5-17(13,14)12(2)7-10-6-9(11)8-16-10/h6,8H,3-5,7H2,1-2H3
InChIKeyKPILMYWDCTUNPG-UHFFFAOYSA-N
XLogP2.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide 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-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-ethoxy-N-methylethanesulfonamide
CID 63246402
N-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide
CID 61355035
N-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine
CID 54978733
N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide
CID 64552630
N-[[3-(aminomethyl)phenyl]methyl]-2-ethoxy-N-methylethanesulfonamide
CID 55175265
1-(2-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylmethanesulfonamide
CID 62022448
1-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylmethanesulfonamide
CID 61109757
N-[(4-bromothiophen-2-yl)methyl]-N',N'-bis(2-ethoxyethyl)ethane-1,2-diamine
CID 82944029
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-ethoxy-N-methylethanesulfonamide
CID 63246214
N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide
CID 54984667
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylbenzenesulfonamide
CID 63420338
N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 47318970

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide (CID 55137039) is N-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide is CCOCCS(=O)(=O)N(C)Cc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide?
The InChIKey is KPILMYWDCTUNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO3S2/c1-3-15-4-5-17(13,14)12(2)7-10-6-9(11)8-16-10/h6,8H,3-5,7H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide?
N-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide has a molecular weight of 342.28 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide is sourced from PubChem (CID 55137039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).