3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide

C15H16BrNO4S2 — CID 15988713

IUPAC3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H16BrNO4S2/c1-2-21-12-5-3-11(4-6-12)17-14(18)9-10-23(19,20)15-8-7-13(16)22-15/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyITSGMHNUBJEVSR-UHFFFAOYSA-N
MW418.33 g/mol
LogP3.71
Rot. Bonds7

About 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide

3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide (PubChem CID 15988713) has the molecular formula C15H16BrNO4S2 and a molecular weight of 418.33 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide
PubChem CID15988713
Molecular FormulaC15H16BrNO4S2
Molecular Weight418.33 g/mol
Exact Mass416.97
IUPAC Name3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H16BrNO4S2/c1-2-21-12-5-3-11(4-6-12)17-14(18)9-10-23(19,20)15-8-7-13(16)22-15/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyITSGMHNUBJEVSR-UHFFFAOYSA-N
XLogP3.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide 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-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide
CID 4293409
N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810603
3-(5-bromanylthiophen-2-yl)sulfonyl-N-(2,5-diethoxyphenyl)propanamide
CID 9551132
N-(4-Methoxyphenyl)-2-(N-methyl5-bromothiophene-2-sulfonamido)acetamide
CID 15995263
4-[Butyryl(thien-2-ylsulfonyl)amino]phenyl butyrate
CID 5133952
N~1~-(4-methoxyphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3241065
5-bromo-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}thiophene-2-sulfonamide
CID 3241609
N-(3-methoxyphenyl)-3-(thien-2-ylsulfonyl)propanamide
CID 3242326
N~1~-(4-ethoxyphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3243492
N-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide
CID 3340619
3-(4-bromophenyl)sulfonyl-N-(2-ethoxyphenyl)propanamide
CID 4109093
N-(4-Ethoxyphenyl)-3-(thiophene-2-sulfonamido)propanamide
CID 9551484

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide (CID 15988713) is 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide?
The InChIKey is ITSGMHNUBJEVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4S2/c1-2-21-12-5-3-11(4-6-12)17-14(18)9-10-23(19,20)15-8-7-13(16)22-15/h3-8H,2,9-10H2,1H3,(H,17,18).
What are the key properties of 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide?
3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide has a molecular weight of 418.33 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 15988713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).