N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C14H15BrN2O3S2 — CID 15999335

IUPACN-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)c(Br)c1
InChIInChI=1S/C14H15BrN2O3S2/c1-10-5-6-12(11(15)8-10)16-13(18)9-17(2)22(19,20)14-4-3-7-21-14/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyZMDFDVHVGZCWJX-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.08
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 15999335) has the molecular formula C14H15BrN2O3S2 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID15999335
Molecular FormulaC14H15BrN2O3S2
Molecular Weight403.32 g/mol
Exact Mass401.97
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)c(Br)c1
InChIInChI=1S/C14H15BrN2O3S2/c1-10-5-6-12(11(15)8-10)16-13(18)9-17(2)22(19,20)14-4-3-7-21-14/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyZMDFDVHVGZCWJX-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 15999335) is N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is ZMDFDVHVGZCWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S2/c1-10-5-6-12(11(15)8-10)16-13(18)9-17(2)22(19,20)14-4-3-7-21-14/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 403.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 15999335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).