N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide

C20H26N2O3S — CID 113138877

IUPACN-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCc1ccc(CNC(=O)CCN(Cc2cccc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O3S/c1-16-7-9-18(10-8-16)14-21-20(23)11-12-22(26(3,24)25)15-19-6-4-5-17(2)13-19/h4-10,13H,11-12,14-15H2,1-3H3,(H,21,23)
InChIKeyLIRGVTWBLRELIM-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.77
Rot. Bonds8

About N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide

N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide (PubChem CID 113138877) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
PubChem CID113138877
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCc1ccc(CNC(=O)CCN(Cc2cccc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O3S/c1-16-7-9-18(10-8-16)14-21-20(23)11-12-22(26(3,24)25)15-19-6-4-5-17(2)13-19/h4-10,13H,11-12,14-15H2,1-3H3,(H,21,23)
InChIKeyLIRGVTWBLRELIM-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113136660
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118570
N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138863
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066712
N-(4-chlorophenyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138932
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113118743
3-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)propanamide
CID 113138964
3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113136268
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140705

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide (CID 113138877) is N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide is Cc1ccc(CNC(=O)CCN(Cc2cccc(C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide?
The InChIKey is LIRGVTWBLRELIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-16-7-9-18(10-8-16)14-21-20(23)11-12-22(26(3,24)25)15-19-6-4-5-17(2)13-19/h4-10,13H,11-12,14-15H2,1-3H3,(H,21,23).
What are the key properties of N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide?
N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide has a molecular weight of 374.51 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113138877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).