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

C14H14BrNO4S2 — CID 15999314

IUPAC3-(5-bromothiophen-2-yl)sulfonyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H14BrNO4S2/c1-20-11-4-2-10(3-5-11)16-13(17)8-9-22(18,19)14-7-6-12(15)21-14/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyJRYDLWGPVFELNT-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.32
Rot. Bonds6

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

3-(5-bromothiophen-2-yl)sulfonyl-N-(4-methoxyphenyl)propanamide (PubChem CID 15999314) has the molecular formula C14H14BrNO4S2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)sulfonyl-N-(4-methoxyphenyl)propanamide
PubChem CID15999314
Molecular FormulaC14H14BrNO4S2
Molecular Weight404.31 g/mol
Exact Mass402.95
IUPAC Name3-(5-bromothiophen-2-yl)sulfonyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H14BrNO4S2/c1-20-11-4-2-10(3-5-11)16-13(17)8-9-22(18,19)14-7-6-12(15)21-14/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyJRYDLWGPVFELNT-UHFFFAOYSA-N
XLogP3.32
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-methoxyphenyl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-methoxyphenyl)propanamide (CID 15999314) is 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-methoxyphenyl)propanamide?
The InChIKey is JRYDLWGPVFELNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO4S2/c1-20-11-4-2-10(3-5-11)16-13(17)8-9-22(18,19)14-7-6-12(15)21-14/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of 3-(5-bromothiophen-2-yl)sulfonyl-N-(4-methoxyphenyl)propanamide?
3-(5-bromothiophen-2-yl)sulfonyl-N-(4-methoxyphenyl)propanamide has a molecular weight of 404.31 g/mol, XLogP of 3.32, 6 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-methoxyphenyl)propanamide is sourced from PubChem (CID 15999314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).