N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide

C21H28N2O3S — CID 113152755

IUPACN-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(CCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-4-19-14-8-10-17(2)21(19)22-20(24)16-23(27(3,25)26)15-9-13-18-11-6-5-7-12-18/h5-8,10-12,14H,4,9,13,15-16H2,1-3H3,(H,22,24)
InChIKeyQTVHGCZFHHQWEO-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.39
Rot. Bonds9

About N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide

N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide (PubChem CID 113152755) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide
PubChem CID113152755
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(CCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-4-19-14-8-10-17(2)21(19)22-20(24)16-23(27(3,25)26)15-9-13-18-11-6-5-7-12-18/h5-8,10-12,14H,4,9,13,15-16H2,1-3H3,(H,22,24)
InChIKeyQTVHGCZFHHQWEO-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151862
3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 113122274
N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 1123794
2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide
CID 113152686
N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153665
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 891784
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 113150542
N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1317140
N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide
CID 108947975
2-(N-acetylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113167169
N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139253

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide (CID 113152755) is N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide is CCc1cccc(C)c1NC(=O)CN(CCCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide?
The InChIKey is QTVHGCZFHHQWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-19-14-8-10-17(2)21(19)22-20(24)16-23(27(3,25)26)15-9-13-18-11-6-5-7-12-18/h5-8,10-12,14H,4,9,13,15-16H2,1-3H3,(H,22,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide is sourced from PubChem (CID 113152755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).