2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide

C20H24F3N3O4S2 — CID 68885296

IUPAC2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NC(c1cccs1)(C1CCNCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C20H24F3N3O4S2/c1-30-16-6-3-2-5-15(16)18(27)26-20(17-7-4-12-31-17,14-8-10-24-11-9-14)32(28,29)25-13-19(21,22)23/h2-7,12,14,24-25H,8-11,13H2,1H3,(H,26,27)
InChIKeyCVUOMLINPFWYPG-UHFFFAOYSA-N
MW491.56 g/mol
LogP2.82
Rot. Bonds8

About 2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide

2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide (PubChem CID 68885296) has the molecular formula C20H24F3N3O4S2 and a molecular weight of 491.56 g/mol. Its IUPAC name is 2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide
PubChem CID68885296
Molecular FormulaC20H24F3N3O4S2
Molecular Weight491.56 g/mol
Exact Mass491.12
IUPAC Name2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NC(c1cccs1)(C1CCNCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C20H24F3N3O4S2/c1-30-16-6-3-2-5-15(16)18(27)26-20(17-7-4-12-31-17,14-8-10-24-11-9-14)32(28,29)25-13-19(21,22)23/h2-7,12,14,24-25H,8-11,13H2,1H3,(H,26,27)
InChIKeyCVUOMLINPFWYPG-UHFFFAOYSA-N
XLogP2.82
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)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

N-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide
CID 91026759
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide
CID 175049799
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 80527272
N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide
CID 67420764
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide
CID 90497186
N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide
CID 113093265
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide
CID 104857085
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 110731438
N-[2-(1-adamantylmethylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methoxybenzamide
CID 585318

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide?
The IUPAC name of 2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide (CID 68885296) is 2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide is COc1ccccc1C(=O)NC(c1cccs1)(C1CCNCC1)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide?
The InChIKey is CVUOMLINPFWYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O4S2/c1-30-16-6-3-2-5-15(16)18(27)26-20(17-7-4-12-31-17,14-8-10-24-11-9-14)32(28,29)25-13-19(21,22)23/h2-7,12,14,24-25H,8-11,13H2,1H3,(H,26,27).
What are the key properties of 2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide?
2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide has a molecular weight of 491.56 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide is sourced from PubChem (CID 68885296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).