2-[benzyl(methylsulfonyl)amino]-N-(2-bromophenyl)acetamide

C16H17BrN2O3S — CID 2192163

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(2-bromophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1Br)Cc1ccccc1
InChIInChI=1S/C16H17BrN2O3S/c1-23(21,22)19(11-13-7-3-2-4-8-13)12-16(20)18-15-10-6-5-9-14(15)17/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyHGQWDPZWRIBEAY-UHFFFAOYSA-N
MW397.29 g/mol
LogP2.85
Rot. Bonds6

About 2-[benzyl(methylsulfonyl)amino]-N-(2-bromophenyl)acetamide

2-[benzyl(methylsulfonyl)amino]-N-(2-bromophenyl)acetamide (PubChem CID 2192163) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(2-bromophenyl)acetamide
PubChem CID2192163
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(2-bromophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1Br)Cc1ccccc1
InChIInChI=1S/C16H17BrN2O3S/c1-23(21,22)19(11-13-7-3-2-4-8-13)12-16(20)18-15-10-6-5-9-14(15)17/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyHGQWDPZWRIBEAY-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(2-bromophenyl)acetamide (CID 2192163) is 2-[benzyl(methylsulfonyl)amino]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(2-bromophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(2-bromophenyl)acetamide?
The InChIKey is HGQWDPZWRIBEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-23(21,22)19(11-13-7-3-2-4-8-13)12-16(20)18-15-10-6-5-9-14(15)17/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(2-bromophenyl)acetamide?
2-[benzyl(methylsulfonyl)amino]-N-(2-bromophenyl)acetamide has a molecular weight of 397.29 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 2192163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).