2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide

C15H24N2O3S — CID 113002188

IUPAC2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCCCS(=O)(=O)NCC(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C15H24N2O3S/c1-4-6-10-21(19,20)16-12-15(18)17(5-2)14-9-7-8-13(3)11-14/h7-9,11,16H,4-6,10,12H2,1-3H3
InChIKeyXSPGEOILYBWBFC-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.07
Rot. Bonds8

About 2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide

2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 113002188) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID113002188
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCCCS(=O)(=O)NCC(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C15H24N2O3S/c1-4-6-10-21(19,20)16-12-15(18)17(5-2)14-9-7-8-13(3)11-14/h7-9,11,16H,4-6,10,12H2,1-3H3
InChIKeyXSPGEOILYBWBFC-UHFFFAOYSA-N
XLogP2.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide
CID 113002186
N-ethyl-N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 113002201
3-(N-ethyl-3-methylanilino)-3-oxopropane-1-sulfonyl chloride
CID 98489365
N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
CID 109032323
3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109032470
2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 112992191
2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108994566
N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
CID 108940770
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide
CID 17226000
N-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide
CID 112990134
2-(3-acetamidoanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 109009943

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide (CID 113002188) is 2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide is CCCCS(=O)(=O)NCC(=O)N(CC)c1cccc(C)c1.
What is the InChIKey of 2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is XSPGEOILYBWBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-6-10-21(19,20)16-12-15(18)17(5-2)14-9-7-8-13(3)11-14/h7-9,11,16H,4-6,10,12H2,1-3H3.
What are the key properties of 2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide?
2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 312.44 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 113002188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).