N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide

C13H20N2O3S — CID 112992190

IUPACN-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide
SMILESCCCS(=O)(=O)NCC(=O)NCc1cccc(C)c1
InChIInChI=1S/C13H20N2O3S/c1-3-7-19(17,18)15-10-13(16)14-9-12-6-4-5-11(2)8-12/h4-6,8,15H,3,7,9-10H2,1-2H3,(H,14,16)
InChIKeyCXBAHDPQTNURTE-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.94
Rot. Bonds7

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

N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide (PubChem CID 112992190) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide
PubChem CID112992190
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide
SMILESCCCS(=O)(=O)NCC(=O)NCc1cccc(C)c1
InChIInChI=1S/C13H20N2O3S/c1-3-7-19(17,18)15-10-13(16)14-9-12-6-4-5-11(2)8-12/h4-6,8,15H,3,7,9-10H2,1-2H3,(H,14,16)
InChIKeyCXBAHDPQTNURTE-UHFFFAOYSA-N
XLogP0.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 112992191
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 112992196
N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide
CID 110285291
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 112992219
ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992182
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-[[N'-methyl-N-[(3-methylphenyl)methyl]carbamimidoyl]amino]-N-propylacetamide
CID 111900589
N-[(3-methylphenyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287743
N-[(3-methylphenyl)methyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108996939
2-(cyclohexylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 108993563

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide (CID 112992190) is N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide is CCCS(=O)(=O)NCC(=O)NCc1cccc(C)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide?
The InChIKey is CXBAHDPQTNURTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-7-19(17,18)15-10-13(16)14-9-12-6-4-5-11(2)8-12/h4-6,8,15H,3,7,9-10H2,1-2H3,(H,14,16).
What are the key properties of N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide?
N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide has a molecular weight of 284.38 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide is sourced from PubChem (CID 112992190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).