2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide

C17H19BrN2O3S — CID 2301201

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-20(24(22,23)16-9-7-15(18)8-10-16)13-17(21)19-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeySNSHZDLMYABSGC-UHFFFAOYSA-N
MW411.32 g/mol
LogP2.43
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide (PubChem CID 2301201) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide
PubChem CID2301201
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-20(24(22,23)16-9-7-15(18)8-10-16)13-17(21)19-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeySNSHZDLMYABSGC-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide (CID 2301201) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide is CN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is SNSHZDLMYABSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-20(24(22,23)16-9-7-15(18)8-10-16)13-17(21)19-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,21).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 411.32 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2301201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).