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

C15H24N2O5S — CID 113066070

IUPAC3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
SMILESCOCCCN(CCNC(=O)c1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O5S/c1-21-11-5-9-17(23(3,19)20)10-8-16-15(18)13-6-4-7-14(12-13)22-2/h4,6-7,12H,5,8-11H2,1-3H3,(H,16,18)
InChIKeySBMKLWHOQSAJCI-UHFFFAOYSA-N
MW344.43 g/mol
LogP0.72
Rot. Bonds10

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

3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide (PubChem CID 113066070) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
PubChem CID113066070
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
SMILESCOCCCN(CCNC(=O)c1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O5S/c1-21-11-5-9-17(23(3,19)20)10-8-16-15(18)13-6-4-7-14(12-13)22-2/h4,6-7,12H,5,8-11H2,1-3H3,(H,16,18)
InChIKeySBMKLWHOQSAJCI-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
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-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066064
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113067018
N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide
CID 113065954
3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064974
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113069819
3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068540
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide (CID 113066070) is 3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide is COCCCN(CCNC(=O)c1cccc(OC)c1)S(C)(=O)=O.
What is the InChIKey of 3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide?
The InChIKey is SBMKLWHOQSAJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-21-11-5-9-17(23(3,19)20)10-8-16-15(18)13-6-4-7-14(12-13)22-2/h4,6-7,12H,5,8-11H2,1-3H3,(H,16,18).
What are the key properties of 3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide?
3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide has a molecular weight of 344.43 g/mol, XLogP of 0.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide is sourced from PubChem (CID 113066070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).