3-(5-bromothiophen-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide

C12H12BrNO3S3 — CID 3242944

IUPAC3-(5-bromothiophen-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)s1)NCc1cccs1
InChIInChI=1S/C12H12BrNO3S3/c13-10-3-4-12(19-10)20(16,17)7-5-11(15)14-8-9-2-1-6-18-9/h1-4,6H,5,7-8H2,(H,14,15)
InChIKeyDVYVGZRNUVRENG-UHFFFAOYSA-N
MW394.34 g/mol
LogP3.05
Rot. Bonds6

About 3-(5-bromothiophen-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide

3-(5-bromothiophen-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 3242944) has the molecular formula C12H12BrNO3S3 and a molecular weight of 394.34 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID3242944
Molecular FormulaC12H12BrNO3S3
Molecular Weight394.34 g/mol
Exact Mass392.92
IUPAC Name3-(5-bromothiophen-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)s1)NCc1cccs1
InChIInChI=1S/C12H12BrNO3S3/c13-10-3-4-12(19-10)20(16,17)7-5-11(15)14-8-9-2-1-6-18-9/h1-4,6H,5,7-8H2,(H,14,15)
InChIKeyDVYVGZRNUVRENG-UHFFFAOYSA-N
XLogP3.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide (CID 3242944) is 3-(5-bromothiophen-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Br)s1)NCc1cccs1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is DVYVGZRNUVRENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3S3/c13-10-3-4-12(19-10)20(16,17)7-5-11(15)14-8-9-2-1-6-18-9/h1-4,6H,5,7-8H2,(H,14,15).
What are the key properties of 3-(5-bromothiophen-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide?
3-(5-bromothiophen-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 394.34 g/mol, XLogP of 3.05, 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-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 3242944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).