N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide

C14H22N2O3S — CID 113065345

IUPACN-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
SMILESCCCCN(CCNC(=O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-3-4-11-16(20(2,18)19)12-10-15-14(17)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,15,17)
InChIKeyJDEYKNAZWQDOAY-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.48
Rot. Bonds8

About N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide

N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide (PubChem CID 113065345) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
PubChem CID113065345
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
SMILESCCCCN(CCNC(=O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-3-4-11-16(20(2,18)19)12-10-15-14(17)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,15,17)
InChIKeyJDEYKNAZWQDOAY-UHFFFAOYSA-N
XLogP1.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376
N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068205
4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068306
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065382
N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113068329
4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide
CID 113064845
3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068313
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113068381
4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide
CID 113066394
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065386
3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066064
3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066070

Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide?
The IUPAC name of N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide (CID 113065345) is N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide?
The canonical SMILES for N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide is CCCCN(CCNC(=O)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide?
The InChIKey is JDEYKNAZWQDOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-4-11-16(20(2,18)19)12-10-15-14(17)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,15,17).
What are the key properties of N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide?
N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide has a molecular weight of 298.41 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide is sourced from PubChem (CID 113065345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).