N-[2-(4-bromophenyl)-2-methylpropyl]-2-cyclopentylsulfonylacetamide

C17H24BrNO3S — CID 78889350

IUPACN-[2-(4-bromophenyl)-2-methylpropyl]-2-cyclopentylsulfonylacetamide
SMILESCC(C)(CNC(=O)CS(=O)(=O)C1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrNO3S/c1-17(2,13-7-9-14(18)10-8-13)12-19-16(20)11-23(21,22)15-5-3-4-6-15/h7-10,15H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyYPOBQZJMAWMLTQ-UHFFFAOYSA-N
MW402.35 g/mol
LogP3.20
Rot. Bonds6

About N-[2-(4-bromophenyl)-2-methylpropyl]-2-cyclopentylsulfonylacetamide

N-[2-(4-bromophenyl)-2-methylpropyl]-2-cyclopentylsulfonylacetamide (PubChem CID 78889350) has the molecular formula C17H24BrNO3S and a molecular weight of 402.35 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-methylpropyl]-2-cyclopentylsulfonylacetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-methylpropyl]-2-cyclopentylsulfonylacetamide
PubChem CID78889350
Molecular FormulaC17H24BrNO3S
Molecular Weight402.35 g/mol
Exact Mass401.07
IUPAC NameN-[2-(4-bromophenyl)-2-methylpropyl]-2-cyclopentylsulfonylacetamide
SMILESCC(C)(CNC(=O)CS(=O)(=O)C1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrNO3S/c1-17(2,13-7-9-14(18)10-8-13)12-19-16(20)11-23(21,22)15-5-3-4-6-15/h7-10,15H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyYPOBQZJMAWMLTQ-UHFFFAOYSA-N
XLogP3.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-methylpropyl]-2-cyclopentylsulfonylacetamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-methylpropyl]-2-cyclopentylsulfonylacetamide (CID 78889350) is N-[2-(4-bromophenyl)-2-methylpropyl]-2-cyclopentylsulfonylacetamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-methylpropyl]-2-cyclopentylsulfonylacetamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-methylpropyl]-2-cyclopentylsulfonylacetamide is CC(C)(CNC(=O)CS(=O)(=O)C1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-methylpropyl]-2-cyclopentylsulfonylacetamide?
The InChIKey is YPOBQZJMAWMLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO3S/c1-17(2,13-7-9-14(18)10-8-13)12-19-16(20)11-23(21,22)15-5-3-4-6-15/h7-10,15H,3-6,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-bromophenyl)-2-methylpropyl]-2-cyclopentylsulfonylacetamide?
N-[2-(4-bromophenyl)-2-methylpropyl]-2-cyclopentylsulfonylacetamide has a molecular weight of 402.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-methylpropyl]-2-cyclopentylsulfonylacetamide is sourced from PubChem (CID 78889350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).