N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide

C21H28N2O3S — CID 113138845

IUPACN-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCCN(C(=O)CCN(Cc1ccccc1C)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C21H28N2O3S/c1-5-23(20-12-8-9-17(2)15-20)21(24)13-14-22(27(4,25)26)16-19-11-7-6-10-18(19)3/h6-12,15H,5,13-14,16H2,1-4H3
InChIKeyMKVAGWIRAPMVRI-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.51
Rot. Bonds8

About N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide

N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide (PubChem CID 113138845) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
PubChem CID113138845
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCCN(C(=O)CCN(Cc1ccccc1C)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C21H28N2O3S/c1-5-23(20-12-8-9-17(2)15-20)21(24)13-14-22(27(4,25)26)16-19-11-7-6-10-18(19)3/h6-12,15H,5,13-14,16H2,1-4H3
InChIKeyMKVAGWIRAPMVRI-UHFFFAOYSA-N
XLogP3.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138072
N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138800
3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113137357
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113137618
N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151893
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019406
N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150541
3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109023151
N-ethyl-2-(2-ethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 113154140
N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide (CID 113138845) is N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide is CCN(C(=O)CCN(Cc1ccccc1C)S(C)(=O)=O)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
The InChIKey is MKVAGWIRAPMVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-23(20-12-8-9-17(2)15-20)21(24)13-14-22(27(4,25)26)16-19-11-7-6-10-18(19)3/h6-12,15H,5,13-14,16H2,1-4H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide has a molecular weight of 388.53 g/mol, XLogP of 3.51, 8 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)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113138845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).