N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide

C20H26N2O3S — CID 113054093

IUPACN-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)CCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-18(23)22(17-20-11-6-3-7-12-20)15-14-21-26(24,25)16-8-13-19-9-4-2-5-10-19/h2-7,9-12,21H,8,13-17H2,1H3
InChIKeyWPLQKJLIIPVXKZ-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.59
Rot. Bonds10

About N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide

N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide (PubChem CID 113054093) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide
PubChem CID113054093
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)CCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-18(23)22(17-20-11-6-3-7-12-20)15-14-21-26(24,25)16-8-13-19-9-4-2-5-10-19/h2-7,9-12,21H,8,13-17H2,1H3
InChIKeyWPLQKJLIIPVXKZ-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide
CID 113051944
N-[(2-fluorophenyl)methyl]-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113054620
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide
CID 113052352
N-[2-(dimethylsulfamoylamino)ethyl]-N-(3-phenylpropyl)acetamide
CID 113056474
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N-(2,6-dimethylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113058169
N-[2-(butylsulfonylamino)ethyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113056291
N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054971
N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055482
N-(4-methoxyphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113060725
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113058668
N-[3-(2-phenylethylsulfonylamino)propyl]acetamide
CID 110292134

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide (CID 113054093) is N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)CCCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide?
The InChIKey is WPLQKJLIIPVXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-18(23)22(17-20-11-6-3-7-12-20)15-14-21-26(24,25)16-8-13-19-9-4-2-5-10-19/h2-7,9-12,21H,8,13-17H2,1H3.
What are the key properties of N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide?
N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 2.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113054093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).