N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide

C15H25N3O3S — CID 113150102

IUPACN-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
SMILESCN(C)CCCN(CC(=O)NCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H25N3O3S/c1-17(2)10-7-11-18(22(3,20)21)13-15(19)16-12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,16,19)
InChIKeySRZFRDFIMRSWFQ-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.52
Rot. Bonds9

About N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide

N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide (PubChem CID 113150102) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
PubChem CID113150102
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
SMILESCN(C)CCCN(CC(=O)NCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H25N3O3S/c1-17(2)10-7-11-18(22(3,20)21)13-15(19)16-12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,16,19)
InChIKeySRZFRDFIMRSWFQ-UHFFFAOYSA-N
XLogP0.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150116
2-[methylsulfonyl(2-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 963773
N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152206
N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140705
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138358
N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151439
2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 113149785
N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150212
N-[(2-fluorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151835
2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113147492
2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28561315
2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113151927

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide?
The IUPAC name of N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide (CID 113150102) is N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide is CN(C)CCCN(CC(=O)NCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide?
The InChIKey is SRZFRDFIMRSWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-17(2)10-7-11-18(22(3,20)21)13-15(19)16-12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,16,19).
What are the key properties of N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide?
N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide has a molecular weight of 327.45 g/mol, XLogP of 0.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113150102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).