N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide

C15H24N2O5S — CID 113137885

IUPACN-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
SMILESCOCCCN(CCC(=O)Nc1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O5S/c1-21-12-4-10-17(23(3,19)20)11-9-15(18)16-13-5-7-14(22-2)8-6-13/h5-8H,4,9-12H2,1-3H3,(H,16,18)
InChIKeyMHFOCCHEWDRPQI-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.32
Rot. Bonds10

About N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide

N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide (PubChem CID 113137885) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
PubChem CID113137885
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC NameN-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
SMILESCOCCCN(CCC(=O)Nc1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O5S/c1-21-12-4-10-17(23(3,19)20)11-9-15(18)16-13-5-7-14(22-2)8-6-13/h5-8H,4,9-12H2,1-3H3,(H,16,18)
InChIKeyMHFOCCHEWDRPQI-UHFFFAOYSA-N
XLogP1.32
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149534
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977
3-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 113139457
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113138556
N-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
CID 113137918
N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149554
3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide
CID 113140448
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113142426
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N-(3-chloro-4-fluorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137731
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide
CID 113138377
N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141326

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide (CID 113137885) is N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide is COCCCN(CCC(=O)Nc1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide?
The InChIKey is MHFOCCHEWDRPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-21-12-4-10-17(23(3,19)20)11-9-15(18)16-13-5-7-14(22-2)8-6-13/h5-8H,4,9-12H2,1-3H3,(H,16,18).
What are the key properties of N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide?
N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide has a molecular weight of 344.43 g/mol, XLogP of 1.32, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113137885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).