N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide

C15H24N2O3S — CID 113068205

IUPACN-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide
SMILESCC(C)CCN(CCNC(=O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-13(2)9-11-17(21(3,19)20)12-10-16-15(18)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,16,18)
InChIKeyAJVGPZQRWVSXTN-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.72
Rot. Bonds8

About N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide

N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide (PubChem CID 113068205) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide
PubChem CID113068205
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide
SMILESCC(C)CCN(CCNC(=O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-13(2)9-11-17(21(3,19)20)12-10-16-15(18)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,16,18)
InChIKeyAJVGPZQRWVSXTN-UHFFFAOYSA-N
XLogP1.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065345
2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068243
3,4-dimethoxy-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068223
4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065465
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113068381
N-benzyl-3-[3-methylbutyl(methylsulfonyl)amino]propanamide
CID 113141113
N-[2-[acetyl(propan-2-yl)amino]ethyl]benzamide
CID 113051974
4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
CID 113066828
4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide
CID 113064845
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376
4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065961
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113071023

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide?
The IUPAC name of N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide (CID 113068205) is N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide?
The canonical SMILES for N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide is CC(C)CCN(CCNC(=O)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide?
The InChIKey is AJVGPZQRWVSXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13(2)9-11-17(21(3,19)20)12-10-16-15(18)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,16,18).
What are the key properties of N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide?
N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide has a molecular weight of 312.43 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide is sourced from PubChem (CID 113068205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).