3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide

C15H22N2O5S — CID 110750237

IUPAC3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCCN2S(C)(=O)=O)cc1OC
InChIInChI=1S/C15H22N2O5S/c1-21-13-7-6-11(9-14(13)22-2)15(18)16-10-12-5-4-8-17(12)23(3,19)20/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeySMOGJYJHLSKOTI-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.86
Rot. Bonds6

About 3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide

3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 110750237) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide
PubChem CID110750237
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCCN2S(C)(=O)=O)cc1OC
InChIInChI=1S/C15H22N2O5S/c1-21-13-7-6-11(9-14(13)22-2)15(18)16-10-12-5-4-8-17(12)23(3,19)20/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeySMOGJYJHLSKOTI-UHFFFAOYSA-N
XLogP0.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286421
2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 167743860
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 41222933
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxybenzamide
CID 16781423
N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide
CID 66004934
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935484
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 16829927

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide (CID 110750237) is 3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide is COc1ccc(C(=O)NCC2CCCN2S(C)(=O)=O)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is SMOGJYJHLSKOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-21-13-7-6-11(9-14(13)22-2)15(18)16-10-12-5-4-8-17(12)23(3,19)20/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,16,18).
What are the key properties of 3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide?
3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 342.42 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 110750237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).