2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide

C21H28N2O3S — CID 113067963

IUPAC2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
SMILESCc1ccc(CC(=O)NCCN(CCCc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O3S/c1-18-10-12-20(13-11-18)17-21(24)22-14-16-23(27(2,25)26)15-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13H,6,9,14-17H2,1-2H3,(H,22,24)
InChIKeyZRCWJEGPGOUKKV-UHFFFAOYSA-N
MW388.53 g/mol
LogP2.55
Rot. Bonds10

About 2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide

2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide (PubChem CID 113067963) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
PubChem CID113067963
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
SMILESCc1ccc(CC(=O)NCCN(CCCc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O3S/c1-18-10-12-20(13-11-18)17-21(24)22-14-16-23(27(2,25)26)15-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13H,6,9,14-17H2,1-2H3,(H,22,24)
InChIKeyZRCWJEGPGOUKKV-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide
CID 113066272
2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide
CID 113067937
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790
2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
CID 113067498
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066647
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066412
2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide
CID 113066857
N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140705
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
CID 113054348
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 113150542
2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide
CID 113068320

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide (CID 113067963) is 2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide is Cc1ccc(CC(=O)NCCN(CCCc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide?
The InChIKey is ZRCWJEGPGOUKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-18-10-12-20(13-11-18)17-21(24)22-14-16-23(27(2,25)26)15-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13H,6,9,14-17H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide?
2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide has a molecular weight of 388.53 g/mol, XLogP of 2.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide is sourced from PubChem (CID 113067963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).