N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide

C20H31N3O5S2 — CID 24603455

IUPACN-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C20H31N3O5S2/c1-15-5-4-6-16(2)23(15)30(27,28)19-9-7-18(8-10-19)21-20(24)17-11-13-22(14-12-17)29(3,25)26/h7-10,15-17H,4-6,11-14H2,1-3H3,(H,21,24)
InChIKeyYMPNHVHGIMLRSB-UHFFFAOYSA-N
MW457.62 g/mol
LogP2.25
Rot. Bonds5

About N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 24603455) has the molecular formula C20H31N3O5S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID24603455
Molecular FormulaC20H31N3O5S2
Molecular Weight457.62 g/mol
Exact Mass457.17
IUPAC NameN-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C20H31N3O5S2/c1-15-5-4-6-16(2)23(15)30(27,28)19-9-7-18(8-10-19)21-20(24)17-11-13-22(14-12-17)29(3,25)26/h7-10,15-17H,4-6,11-14H2,1-3H3,(H,21,24)
InChIKeyYMPNHVHGIMLRSB-UHFFFAOYSA-N
XLogP2.25
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-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-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2836734
1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide
CID 110726347
1-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-ethylurea
CID 40952612
2-(azepan-1-yl)-N-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51687104
N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081285
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 166406251
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]cyclobutanecarboxamide
CID 7921879
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46652612
N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935217
1-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(4-methylphenyl)thiourea
CID 27525391

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 24603455) is N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide is CC1CCCC(C)N1S(=O)(=O)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is YMPNHVHGIMLRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5S2/c1-15-5-4-6-16(2)23(15)30(27,28)19-9-7-18(8-10-19)21-20(24)17-11-13-22(14-12-17)29(3,25)26/h7-10,15-17H,4-6,11-14H2,1-3H3,(H,21,24).
What are the key properties of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 24603455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).