N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide

C21H28N2O3S — CID 113058668

IUPACN-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)CCc1ccccc1)c1ccccc1C(C)C
InChIInChI=1S/C21H28N2O3S/c1-17(2)20-11-7-8-12-21(20)23(18(3)24)15-14-22-27(25,26)16-13-19-9-5-4-6-10-19/h4-12,17,22H,13-16H2,1-3H3
InChIKeyCALMHCKXZMDOIV-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.33
Rot. Bonds9

About N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide

N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 113058668) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID113058668
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)CCc1ccccc1)c1ccccc1C(C)C
InChIInChI=1S/C21H28N2O3S/c1-17(2)20-11-7-8-12-21(20)23(18(3)24)15-14-22-27(25,26)16-13-19-9-5-4-6-10-19/h4-12,17,22H,13-16H2,1-3H3
InChIKeyCALMHCKXZMDOIV-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113059789
N-(2,6-dimethylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113058169
N-(4-methoxyphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113060725
N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113058664
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113058673
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide
CID 113051944
2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide
CID 113169640
N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide
CID 113054093
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide
CID 113052352
N-[(2-fluorophenyl)methyl]-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113054620
N-[2-(N-acetyl-2-propan-2-ylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113058617
N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
CID 113062766

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide (CID 113058668) is N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide is CC(=O)N(CCNS(=O)(=O)CCc1ccccc1)c1ccccc1C(C)C.
What is the InChIKey of N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is CALMHCKXZMDOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-17(2)20-11-7-8-12-21(20)23(18(3)24)15-14-22-27(25,26)16-13-19-9-5-4-6-10-19/h4-12,17,22H,13-16H2,1-3H3.
What are the key properties of N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide?
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113058668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).