3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide

C15H24N2O5S — CID 113064982

IUPAC3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN(C(C)C)S(C)(=O)=O)cc1OC
InChIInChI=1S/C15H24N2O5S/c1-11(2)17(23(5,19)20)9-8-16-15(18)12-6-7-13(21-3)14(10-12)22-4/h6-7,10-11H,8-9H2,1-5H3,(H,16,18)
InChIKeyKEYAIARWWRYEHY-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.10
Rot. Bonds8

About 3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide

3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide (PubChem CID 113064982) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
PubChem CID113064982
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN(C(C)C)S(C)(=O)=O)cc1OC
InChIInChI=1S/C15H24N2O5S/c1-11(2)17(23(5,19)20)9-8-16-15(18)12-6-7-13(21-3)14(10-12)22-4/h6-7,10-11H,8-9H2,1-5H3,(H,16,18)
InChIKeyKEYAIARWWRYEHY-UHFFFAOYSA-N
XLogP1.10
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068223
3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064974
3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064977
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3,4-dimethylbenzamide
CID 113065594
3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 113067429
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethoxybenzamide
CID 113071490
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110602545
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113052128
N-[2-[2-(dimethylamino)ethylsulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618827
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide (CID 113064982) is 3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide is COc1ccc(C(=O)NCCN(C(C)C)S(C)(=O)=O)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide?
The InChIKey is KEYAIARWWRYEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-11(2)17(23(5,19)20)9-8-16-15(18)12-6-7-13(21-3)14(10-12)22-4/h6-7,10-11H,8-9H2,1-5H3,(H,16,18).
What are the key properties of 3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide?
3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide has a molecular weight of 344.43 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 113064982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).