3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide

C19H24N2O6S2 — CID 41222933

IUPAC3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O6S2/c1-25-15-10-13(11-16(26-2)18(15)27-3)19(22)20-12-14-6-4-8-21(14)29(23,24)17-7-5-9-28-17/h5,7,9-11,14H,4,6,8,12H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyBGLSJUJVBFQLSO-CQSZACIVSA-N
MW440.54 g/mol
LogP2.36
Rot. Bonds8

About 3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide

3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide (PubChem CID 41222933) has the molecular formula C19H24N2O6S2 and a molecular weight of 440.54 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
PubChem CID41222933
Molecular FormulaC19H24N2O6S2
Molecular Weight440.54 g/mol
Exact Mass440.11
IUPAC Name3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O6S2/c1-25-15-10-13(11-16(26-2)18(15)27-3)19(22)20-12-14-6-4-8-21(14)29(23,24)17-7-5-9-28-17/h5,7,9-11,14H,4,6,8,12H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyBGLSJUJVBFQLSO-CQSZACIVSA-N
XLogP2.36
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286421
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
3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide
CID 110750237
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
1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 55412270
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
3,4,5-trimethoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895501

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide (CID 41222933) is 3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide is COc1cc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cccs2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide?
The InChIKey is BGLSJUJVBFQLSO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O6S2/c1-25-15-10-13(11-16(26-2)18(15)27-3)19(22)20-12-14-6-4-8-21(14)29(23,24)17-7-5-9-28-17/h5,7,9-11,14H,4,6,8,12H2,1-3H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide?
3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide has a molecular weight of 440.54 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 41222933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).