2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide

C20H26N2O3S — CID 113150542

IUPAC2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
SMILESCc1ccccc1CN(CC(=O)NCCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-17-9-6-7-13-19(17)15-22(26(2,24)25)16-20(23)21-14-8-12-18-10-4-3-5-11-18/h3-7,9-11,13H,8,12,14-16H2,1-2H3,(H,21,23)
InChIKeyKEYUIDZAHSSWJT-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.51
Rot. Bonds9

About 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide

2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide (PubChem CID 113150542) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
PubChem CID113150542
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
SMILESCc1ccccc1CN(CC(=O)NCCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-17-9-6-7-13-19(17)15-22(26(2,24)25)16-20(23)21-14-8-12-18-10-4-3-5-11-18/h3-7,9-11,13H,8,12,14-16H2,1-2H3,(H,21,23)
InChIKeyKEYUIDZAHSSWJT-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 100717418
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066647
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150529
2-[benzyl(methylsulfonyl)amino]-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 100750228
2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide
CID 113154252
2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide
CID 113147718
N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100512988
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113150994
2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
CID 113067963
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150524
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide
CID 113152755
N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150541

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide (CID 113150542) is 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide is Cc1ccccc1CN(CC(=O)NCCCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide?
The InChIKey is KEYUIDZAHSSWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-17-9-6-7-13-19(17)15-22(26(2,24)25)16-20(23)21-14-8-12-18-10-4-3-5-11-18/h3-7,9-11,13H,8,12,14-16H2,1-2H3,(H,21,23).
What are the key properties of 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide?
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide has a molecular weight of 374.51 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 113150542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).