2-[benzyl(cyclopentylmethylsulfonyl)amino]acetamide

C15H22N2O3S — CID 71968566

IUPAC2-[benzyl(cyclopentylmethylsulfonyl)amino]acetamide
SMILESNC(=O)CN(Cc1ccccc1)S(=O)(=O)CC1CCCC1
InChIInChI=1S/C15H22N2O3S/c16-15(18)11-17(10-13-6-2-1-3-7-13)21(19,20)12-14-8-4-5-9-14/h1-3,6-7,14H,4-5,8-12H2,(H2,16,18)
InChIKeyAZNBWJXQKQHHPM-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.49
Rot. Bonds7

About 2-[benzyl(cyclopentylmethylsulfonyl)amino]acetamide

2-[benzyl(cyclopentylmethylsulfonyl)amino]acetamide (PubChem CID 71968566) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[benzyl(cyclopentylmethylsulfonyl)amino]acetamide.

Molecular Properties

Compound Name2-[benzyl(cyclopentylmethylsulfonyl)amino]acetamide
PubChem CID71968566
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[benzyl(cyclopentylmethylsulfonyl)amino]acetamide
SMILESNC(=O)CN(Cc1ccccc1)S(=O)(=O)CC1CCCC1
InChIInChI=1S/C15H22N2O3S/c16-15(18)11-17(10-13-6-2-1-3-7-13)21(19,20)12-14-8-4-5-9-14/h1-3,6-7,14H,4-5,8-12H2,(H2,16,18)
InChIKeyAZNBWJXQKQHHPM-UHFFFAOYSA-N
XLogP1.49
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(cyclopentylmethylsulfonyl)amino]acetamide?
The IUPAC name of 2-[benzyl(cyclopentylmethylsulfonyl)amino]acetamide (CID 71968566) is 2-[benzyl(cyclopentylmethylsulfonyl)amino]acetamide.
What is the SMILES notation for 2-[benzyl(cyclopentylmethylsulfonyl)amino]acetamide?
The canonical SMILES for 2-[benzyl(cyclopentylmethylsulfonyl)amino]acetamide is NC(=O)CN(Cc1ccccc1)S(=O)(=O)CC1CCCC1.
What is the InChIKey of 2-[benzyl(cyclopentylmethylsulfonyl)amino]acetamide?
The InChIKey is AZNBWJXQKQHHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c16-15(18)11-17(10-13-6-2-1-3-7-13)21(19,20)12-14-8-4-5-9-14/h1-3,6-7,14H,4-5,8-12H2,(H2,16,18).
What are the key properties of 2-[benzyl(cyclopentylmethylsulfonyl)amino]acetamide?
2-[benzyl(cyclopentylmethylsulfonyl)amino]acetamide has a molecular weight of 310.42 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(cyclopentylmethylsulfonyl)amino]acetamide is sourced from PubChem (CID 71968566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).