N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide

C20H26N2O3S — CID 113150932

IUPACN-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
SMILESCCN(C(=O)CN(C(C)c1ccccc1)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C20H26N2O3S/c1-5-21(19-13-9-10-16(2)14-19)20(23)15-22(26(4,24)25)17(3)18-11-7-6-8-12-18/h6-14,17H,5,15H2,1-4H3
InChIKeyZZZHZDNKSWLTEJ-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.37
Rot. Bonds7

About N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide

N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide (PubChem CID 113150932) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
PubChem CID113150932
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
SMILESCCN(C(=O)CN(C(C)c1ccccc1)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C20H26N2O3S/c1-5-21(19-13-9-10-16(2)14-19)20(23)15-22(26(4,24)25)17(3)18-11-7-6-8-12-18/h6-14,17H,5,15H2,1-4H3
InChIKeyZZZHZDNKSWLTEJ-UHFFFAOYSA-N
XLogP3.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695
N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide
CID 21488716
N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151893
N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154382
N-ethyl-2-(2-ethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 113154140
N-ethyl-2-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 113155154
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113151118
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113154894
N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide
CID 113002186
3-(N-ethyl-3-methylanilino)-3-oxopropane-1-sulfonyl chloride
CID 98489365
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide (CID 113150932) is N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide is CCN(C(=O)CN(C(C)c1ccccc1)S(C)(=O)=O)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The InChIKey is ZZZHZDNKSWLTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-21(19-13-9-10-16(2)14-19)20(23)15-22(26(4,24)25)17(3)18-11-7-6-8-12-18/h6-14,17H,5,15H2,1-4H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide is sourced from PubChem (CID 113150932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).