N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide

C16H26N2O4S — CID 113138863

IUPACN-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCOCCCNC(=O)CCN(Cc1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-14-6-4-7-15(12-14)13-18(23(3,20)21)10-8-16(19)17-9-5-11-22-2/h4,6-7,12H,5,8-11,13H2,1-3H3,(H,17,19)
InChIKeyROJIUZFGNJNJKC-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.30
Rot. Bonds10

About N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide

N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide (PubChem CID 113138863) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
PubChem CID113138863
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCOCCCNC(=O)CCN(Cc1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-14-6-4-7-15(12-14)13-18(23(3,20)21)10-8-16(19)17-9-5-11-22-2/h4,6-7,12H,5,8-11,13H2,1-3H3,(H,17,19)
InChIKeyROJIUZFGNJNJKC-UHFFFAOYSA-N
XLogP1.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150637
N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138877
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066712
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 113149442
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113136660
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066979
N-(4-chlorophenyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138932
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066412
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113067030

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide?
The IUPAC name of N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide (CID 113138863) is N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide is COCCCNC(=O)CCN(Cc1cccc(C)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide?
The InChIKey is ROJIUZFGNJNJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-14-6-4-7-15(12-14)13-18(23(3,20)21)10-8-16(19)17-9-5-11-22-2/h4,6-7,12H,5,8-11,13H2,1-3H3,(H,17,19).
What are the key properties of N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide?
N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide has a molecular weight of 342.46 g/mol, XLogP of 1.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113138863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).