3-(5-bromothiophen-2-yl)sulfonyl-N-(2-methylphenyl)propanamide

C14H14BrNO3S2 — CID 15992306

IUPAC3-(5-bromothiophen-2-yl)sulfonyl-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H14BrNO3S2/c1-10-4-2-3-5-11(10)16-13(17)8-9-21(18,19)14-7-6-12(15)20-14/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyOFKPHZHFCFRCKG-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.62
Rot. Bonds5

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

3-(5-bromothiophen-2-yl)sulfonyl-N-(2-methylphenyl)propanamide (PubChem CID 15992306) has the molecular formula C14H14BrNO3S2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)sulfonyl-N-(2-methylphenyl)propanamide
PubChem CID15992306
Molecular FormulaC14H14BrNO3S2
Molecular Weight388.31 g/mol
Exact Mass386.96
IUPAC Name3-(5-bromothiophen-2-yl)sulfonyl-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H14BrNO3S2/c1-10-4-2-3-5-11(10)16-13(17)8-9-21(18,19)14-7-6-12(15)20-14/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyOFKPHZHFCFRCKG-UHFFFAOYSA-N
XLogP3.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-2-(2-thienyl)acetamide
CID 670140
N-(4-bromo-3-methylphenyl)-2-(thiophen-3-yl)acetamide
CID 2486757
N-(3-acetylphenyl)-3-[(5-bromothien-2-yl)sulfonyl]propanamide
CID 15988718
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonyl]propanamide
CID 1303359
N-[5-(aminosulfonyl)-2-methylphenyl]-3-(2-thienyl)acrylamide
CID 6026898
N-[3,5-Bis(trifluoromethyl)phenyl]-3-[(5-bromothiophen-2-YL)sulfonyl]propanamide
CID 15988737
4-[(5-Bromothiophene-2-sulfonamido)methyl]-N-(3-methylphenyl)cyclohexane-1-carboxamide
CID 15989699
N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 15999335
3-[(4-bromophenyl)sulfonyl]-N-(2,6-dimethylphenyl)propanamide
CID 3457956
3-[(5-Bromothiophen-2-YL)sulfonyl]-N-(5-chloro-2-methylphenyl)propanamide
CID 15988711
(2E)-N-(2-methylphenyl)-3-(thiophen-2-yl)prop-2-enamide
CID 2146472
1-{3-[(5-Bromothien-2-yl)sulfonyl]propanoyl}indoline
CID 3238964

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-methylphenyl)propanamide (CID 15992306) is 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-methylphenyl)propanamide?
The InChIKey is OFKPHZHFCFRCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S2/c1-10-4-2-3-5-11(10)16-13(17)8-9-21(18,19)14-7-6-12(15)20-14/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-methylphenyl)propanamide?
3-(5-bromothiophen-2-yl)sulfonyl-N-(2-methylphenyl)propanamide has a molecular weight of 388.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 15992306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).