3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide

C22H30N2O4S2 — CID 55908130

IUPAC3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide
SMILESCCC(NC(=O)c1ccc(OC)c(S(=O)(=O)N2CC(C)CC(C)C2)c1)c1cccs1
InChIInChI=1S/C22H30N2O4S2/c1-5-18(20-7-6-10-29-20)23-22(25)17-8-9-19(28-4)21(12-17)30(26,27)24-13-15(2)11-16(3)14-24/h6-10,12,15-16,18H,5,11,13-14H2,1-4H3,(H,23,25)
InChIKeyPKUPFELMADFZLY-UHFFFAOYSA-N
MW450.63 g/mol
LogP4.30
Rot. Bonds7

About 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide (PubChem CID 55908130) has the molecular formula C22H30N2O4S2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide
PubChem CID55908130
Molecular FormulaC22H30N2O4S2
Molecular Weight450.63 g/mol
Exact Mass450.16
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide
SMILESCCC(NC(=O)c1ccc(OC)c(S(=O)(=O)N2CC(C)CC(C)C2)c1)c1cccs1
InChIInChI=1S/C22H30N2O4S2/c1-5-18(20-7-6-10-29-20)23-22(25)17-8-9-19(28-4)21(12-17)30(26,27)24-13-15(2)11-16(3)14-24/h6-10,12,15-16,18H,5,11,13-14H2,1-4H3,(H,23,25)
InChIKeyPKUPFELMADFZLY-UHFFFAOYSA-N
XLogP4.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)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-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide
CID 51279171
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N'-(3-methylbutanoyl)benzohydrazide
CID 46423752
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 26086684
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide
CID 55363883
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
CID 17439609
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-prop-2-enylbenzamide
CID 51157554
N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 55408650
ethyl 5-[[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoyl]amino]thiadiazole-4-carboxylate
CID 55671078
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 26905197
N-[(2,4-dimethoxyphenyl)methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 46590391
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55797464
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
CID 55817376

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide (CID 55908130) is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide is CCC(NC(=O)c1ccc(OC)c(S(=O)(=O)N2CC(C)CC(C)C2)c1)c1cccs1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide?
The InChIKey is PKUPFELMADFZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S2/c1-5-18(20-7-6-10-29-20)23-22(25)17-8-9-19(28-4)21(12-17)30(26,27)24-13-15(2)11-16(3)14-24/h6-10,12,15-16,18H,5,11,13-14H2,1-4H3,(H,23,25).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide?
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide has a molecular weight of 450.63 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 55908130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).