2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methylphenyl)acetamide

C13H13BrN2O3S2 — CID 112996113

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H13BrN2O3S2/c1-9-4-2-3-5-10(9)16-12(17)8-15-21(18,19)13-7-6-11(14)20-13/h2-7,15H,8H2,1H3,(H,16,17)
InChIKeyBGKBCASODRXQCO-UHFFFAOYSA-N
MW389.30 g/mol
LogP2.74
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methylphenyl)acetamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methylphenyl)acetamide (PubChem CID 112996113) has the molecular formula C13H13BrN2O3S2 and a molecular weight of 389.30 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methylphenyl)acetamide
PubChem CID112996113
Molecular FormulaC13H13BrN2O3S2
Molecular Weight389.30 g/mol
Exact Mass387.96
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H13BrN2O3S2/c1-9-4-2-3-5-10(9)16-12(17)8-15-21(18,19)13-7-6-11(14)20-13/h2-7,15H,8H2,1H3,(H,16,17)
InChIKeyBGKBCASODRXQCO-UHFFFAOYSA-N
XLogP2.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methylphenyl)acetamide (CID 112996113) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is BGKBCASODRXQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S2/c1-9-4-2-3-5-10(9)16-12(17)8-15-21(18,19)13-7-6-11(14)20-13/h2-7,15H,8H2,1H3,(H,16,17).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methylphenyl)acetamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 389.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 112996113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).