N-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

C26H37N3O3S — CID 3319692

IUPACN-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCC(c3ccccc3)N(C)C)CC2)c1C
InChIInChI=1S/C26H37N3O3S/c1-18-16-19(2)21(4)25(20(18)3)33(31,32)29-14-12-23(13-15-29)26(30)27-17-24(28(5)6)22-10-8-7-9-11-22/h7-11,16,23-24H,12-15,17H2,1-6H3,(H,27,30)
InChIKeyBVYBTXBNAJZOBT-UHFFFAOYSA-N
MW471.67 g/mol
LogP3.74
Rot. Bonds7

About N-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

N-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 3319692) has the molecular formula C26H37N3O3S and a molecular weight of 471.67 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID3319692
Molecular FormulaC26H37N3O3S
Molecular Weight471.67 g/mol
Exact Mass471.26
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCC(c3ccccc3)N(C)C)CC2)c1C
InChIInChI=1S/C26H37N3O3S/c1-18-16-19(2)21(4)25(20(18)3)33(31,32)29-14-12-23(13-15-29)26(30)27-17-24(28(5)6)22-10-8-7-9-11-22/h7-11,16,23-24H,12-15,17H2,1-6H3,(H,27,30)
InChIKeyBVYBTXBNAJZOBT-UHFFFAOYSA-N
XLogP3.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.67
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide 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-((R)-6-((isobutylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((R)-3-oxo-1-tosylpiperazin-2-yl)acetamide
CID 11341479
N-benzyl-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 21372902
1-(2,4-dimethylphenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 45724855
N-[2-[benzyl(propan-2-yl)amino]ethyl]-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 121365661
2,3,5,6-tetramethyl-N-[4-(1-piperidinylcarbonyl)benzyl]benzenesulfonamide
CID 984371
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 2921707
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 3619774
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 4788430
N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 4791129
N-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 4877700
N-[(2,5-Dimethylphenyl)methyl]-1-(4-fluorobenzenesulfonyl)piperidine-2-carboxamide
CID 16024622
(3,5-Dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 17461622

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (CID 3319692) is N-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCC(c3ccccc3)N(C)C)CC2)c1C.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is BVYBTXBNAJZOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3S/c1-18-16-19(2)21(4)25(20(18)3)33(31,32)29-14-12-23(13-15-29)26(30)27-17-24(28(5)6)22-10-8-7-9-11-22/h7-11,16,23-24H,12-15,17H2,1-6H3,(H,27,30).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 471.67 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3319692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).