3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide

C14H16BrNO3S2 — CID 61074028

IUPAC3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(OCCN(C)S(=O)(=O)c2sccc2Br)cc1
InChIInChI=1S/C14H16BrNO3S2/c1-11-3-5-12(6-4-11)19-9-8-16(2)21(17,18)14-13(15)7-10-20-14/h3-7,10H,8-9H2,1-2H3
InChIKeyGRSZVCXWERIMRI-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.52
Rot. Bonds6

About 3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide

3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide (PubChem CID 61074028) has the molecular formula C14H16BrNO3S2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
PubChem CID61074028
Molecular FormulaC14H16BrNO3S2
Molecular Weight390.32 g/mol
Exact Mass388.98
IUPAC Name3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(OCCN(C)S(=O)(=O)c2sccc2Br)cc1
InChIInChI=1S/C14H16BrNO3S2/c1-11-3-5-12(6-4-11)19-9-8-16(2)21(17,18)14-13(15)7-10-20-14/h3-7,10H,8-9H2,1-2H3
InChIKeyGRSZVCXWERIMRI-UHFFFAOYSA-N
XLogP3.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide 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

3-bromo-N-(2-chloroethyl)-N-methylthiophene-2-sulfonamide
CID 63396569
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61072196
4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 61300193
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
CID 61456214
3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide
CID 61067426
4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 4789847
N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide
CID 2457467
N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide
CID 134025780
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 46633675
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-nitrobenzenesulfonamide
CID 26544797
3-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61456216

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide (CID 61074028) is 3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide is Cc1ccc(OCCN(C)S(=O)(=O)c2sccc2Br)cc1.
What is the InChIKey of 3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide?
The InChIKey is GRSZVCXWERIMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3S2/c1-11-3-5-12(6-4-11)19-9-8-16(2)21(17,18)14-13(15)7-10-20-14/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide?
3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide has a molecular weight of 390.32 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61074028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).