5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide

C14H16BrNO3S2 — CID 79918576

IUPAC5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
SMILESCOc1ccccc1C(C)NS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C14H16BrNO3S2/c1-9-8-13(20-14(9)15)21(17,18)16-10(2)11-6-4-5-7-12(11)19-3/h4-8,10,16H,1-3H3
InChIKeyROKFOTMJKOODAS-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.87
Rot. Bonds5

About 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide

5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide (PubChem CID 79918576) has the molecular formula C14H16BrNO3S2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
PubChem CID79918576
Molecular FormulaC14H16BrNO3S2
Molecular Weight390.32 g/mol
Exact Mass388.98
IUPAC Name5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
SMILESCOc1ccccc1C(C)NS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C14H16BrNO3S2/c1-9-8-13(20-14(9)15)21(17,18)16-10(2)11-6-4-5-7-12(11)19-3/h4-8,10,16H,1-3H3
InChIKeyROKFOTMJKOODAS-UHFFFAOYSA-N
XLogP3.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 80578485
5-bromo-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-sulfonamide
CID 79932663
N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 43874177
5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 103739636
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79998802
5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79933087
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanoate
CID 79988235
5-bromo-N-(2-bromo-1-phenylethyl)-4-methylthiophene-2-sulfonamide
CID 114296879
N-[(1R)-1-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 28560460
N-[1-(2-bromophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 55681681
N-[5-[1-(2-methoxyphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133162457
5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide
CID 115692248

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide (CID 79918576) is 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide is COc1ccccc1C(C)NS(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is ROKFOTMJKOODAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3S2/c1-9-8-13(20-14(9)15)21(17,18)16-10(2)11-6-4-5-7-12(11)19-3/h4-8,10,16H,1-3H3.
What are the key properties of 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide?
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 390.32 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79918576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).