4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide

C24H33N3O3S2 — CID 46349331

IUPAC4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC1CCN(c2ccc(C(=O)NCc3cccs3)cc2S(=O)(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C24H33N3O3S2/c1-18-7-11-26(12-8-18)22-6-5-20(24(28)25-17-21-4-3-15-31-21)16-23(22)32(29,30)27-13-9-19(2)10-14-27/h3-6,15-16,18-19H,7-14,17H2,1-2H3,(H,25,28)
InChIKeyCTTQVPVYHQKGNF-UHFFFAOYSA-N
MW475.68 g/mol
LogP4.34
Rot. Bonds6

About 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide

4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 46349331) has the molecular formula C24H33N3O3S2 and a molecular weight of 475.68 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID46349331
Molecular FormulaC24H33N3O3S2
Molecular Weight475.68 g/mol
Exact Mass475.20
IUPAC Name4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC1CCN(c2ccc(C(=O)NCc3cccs3)cc2S(=O)(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C24H33N3O3S2/c1-18-7-11-26(12-8-18)22-6-5-20(24(28)25-17-21-4-3-15-31-21)16-23(22)32(29,30)27-13-9-19(2)10-14-27/h3-6,15-16,18-19H,7-14,17H2,1-2H3,(H,25,28)
InChIKeyCTTQVPVYHQKGNF-UHFFFAOYSA-N
XLogP4.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.68
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)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

4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92874908
N-(3-methoxypropyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46349335
4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 55597318
N-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46349295
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 92874906
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 46349317
N-(2,5-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46349313
3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92595368
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4800684
N-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 27241519
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4814346
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide (CID 46349331) is 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide is CC1CCN(c2ccc(C(=O)NCc3cccs3)cc2S(=O)(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is CTTQVPVYHQKGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S2/c1-18-7-11-26(12-8-18)22-6-5-20(24(28)25-17-21-4-3-15-31-21)16-23(22)32(29,30)27-13-9-19(2)10-14-27/h3-6,15-16,18-19H,7-14,17H2,1-2H3,(H,25,28).
What are the key properties of 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 475.68 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 46349331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).