N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide

C16H26ClN3O3S — CID 113138353

IUPACN-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
SMILESCN(C)CCCN(CCC(=O)NCc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C16H26ClN3O3S/c1-19(2)10-6-11-20(24(3,22)23)12-9-16(21)18-13-14-7-4-5-8-15(14)17/h4-5,7-8H,6,9-13H2,1-3H3,(H,18,21)
InChIKeyQVKGYRKJOXADEC-UHFFFAOYSA-N
MW375.92 g/mol
LogP1.56
Rot. Bonds10

About N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide

N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide (PubChem CID 113138353) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
PubChem CID113138353
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
SMILESCN(C)CCCN(CCC(=O)NCc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C16H26ClN3O3S/c1-19(2)10-6-11-20(24(3,22)23)12-9-16(21)18-13-14-7-4-5-8-15(14)17/h4-5,7-8H,6,9-13H2,1-3H3,(H,18,21)
InChIKeyQVKGYRKJOXADEC-UHFFFAOYSA-N
XLogP1.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113138110
N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140035
N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide
CID 108944155
3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138358
3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113136668
N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138109
N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153214
N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138355
N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138429
N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150102
N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140705

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide (CID 113138353) is N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide is CN(C)CCCN(CCC(=O)NCc1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide?
The InChIKey is QVKGYRKJOXADEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O3S/c1-19(2)10-6-11-20(24(3,22)23)12-9-16(21)18-13-14-7-4-5-8-15(14)17/h4-5,7-8H,6,9-13H2,1-3H3,(H,18,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide?
N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide has a molecular weight of 375.92 g/mol, XLogP of 1.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113138353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).