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

C14H22N2O3S — CID 112992191

IUPAC2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCCCCS(=O)(=O)NCC(=O)NCc1cccc(C)c1
InChIInChI=1S/C14H22N2O3S/c1-3-4-8-20(18,19)16-11-14(17)15-10-13-7-5-6-12(2)9-13/h5-7,9,16H,3-4,8,10-11H2,1-2H3,(H,15,17)
InChIKeyOPUGMIUTXMXPLF-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.33
Rot. Bonds8

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

2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 112992191) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID112992191
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCCCCS(=O)(=O)NCC(=O)NCc1cccc(C)c1
InChIInChI=1S/C14H22N2O3S/c1-3-4-8-20(18,19)16-11-14(17)15-10-13-7-5-6-12(2)9-13/h5-7,9,16H,3-4,8,10-11H2,1-2H3,(H,15,17)
InChIKeyOPUGMIUTXMXPLF-UHFFFAOYSA-N
XLogP1.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide
CID 112992190
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 112995859
2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 112992196
3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113136660
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 112992219
ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992182
N-butyl-N'-[(3-methylphenyl)methyl]oxamide
CID 108983947
2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992739
2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113002188
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide (CID 112992191) is 2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide is CCCCS(=O)(=O)NCC(=O)NCc1cccc(C)c1.
What is the InChIKey of 2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is OPUGMIUTXMXPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-4-8-20(18,19)16-11-14(17)15-10-13-7-5-6-12(2)9-13/h5-7,9,16H,3-4,8,10-11H2,1-2H3,(H,15,17).
What are the key properties of 2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide?
2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 112992191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).