3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide

C18H22N2O5S2 — CID 7286421

IUPAC3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1OC
InChIInChI=1S/C18H22N2O5S2/c1-24-15-8-7-13(11-16(15)25-2)18(21)19-12-14-5-3-9-20(14)27(22,23)17-6-4-10-26-17/h4,6-8,10-11,14H,3,5,9,12H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyNDXLEUNWJBZBIL-CQSZACIVSA-N
MW410.52 g/mol
LogP2.35
Rot. Bonds7

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

3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide (PubChem CID 7286421) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
PubChem CID7286421
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC Name3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1OC
InChIInChI=1S/C18H22N2O5S2/c1-24-15-8-7-13(11-16(15)25-2)18(21)19-12-14-5-3-9-20(14)27(22,23)17-6-4-10-26-17/h4,6-8,10-11,14H,3,5,9,12H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyNDXLEUNWJBZBIL-CQSZACIVSA-N
XLogP2.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 41222933
3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide
CID 110750237
4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286373
N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286403
N'-(2,2-dimethoxyethyl)-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222980
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
N'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286397
N'-(2,5-dimethylphenyl)-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286437
N-(2-methoxyphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574540
N'-(2-cyanophenyl)-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222958
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 16829934

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide (CID 7286421) is 3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide is COc1ccc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide?
The InChIKey is NDXLEUNWJBZBIL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-24-15-8-7-13(11-16(15)25-2)18(21)19-12-14-5-3-9-20(14)27(22,23)17-6-4-10-26-17/h4,6-8,10-11,14H,3,5,9,12H2,1-2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide?
3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide has a molecular weight of 410.52 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 7286421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).