2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide

C14H15BrN2O3S2 — CID 15996686

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H15BrN2O3S2/c1-10-2-4-11(5-3-10)8-16-13(18)9-17-22(19,20)14-7-6-12(15)21-14/h2-7,17H,8-9H2,1H3,(H,16,18)
InChIKeyNBKWHEZGSUZYLJ-UHFFFAOYSA-N
MW403.32 g/mol
LogP2.41
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 15996686) has the molecular formula C14H15BrN2O3S2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID15996686
Molecular FormulaC14H15BrN2O3S2
Molecular Weight403.32 g/mol
Exact Mass401.97
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H15BrN2O3S2/c1-10-2-4-11(5-3-10)8-16-13(18)9-17-22(19,20)14-7-6-12(15)21-14/h2-7,17H,8-9H2,1H3,(H,16,18)
InChIKeyNBKWHEZGSUZYLJ-UHFFFAOYSA-N
XLogP2.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 52.41
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-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide (CID 15996686) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is NBKWHEZGSUZYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S2/c1-10-2-4-11(5-3-10)8-16-13(18)9-17-22(19,20)14-7-6-12(15)21-14/h2-7,17H,8-9H2,1H3,(H,16,18).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 403.32 g/mol, XLogP of 2.41, 6 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-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 15996686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).