N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C25H27N3O3S — CID 46652612

IUPACN-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Nc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C25H27N3O3S/c1-19-7-13-24(14-8-19)32(30,31)28-17-15-20(16-18-28)25(29)27-23-11-9-22(10-12-23)26-21-5-3-2-4-6-21/h2-14,20,26H,15-18H2,1H3,(H,27,29)
InChIKeyQXHOELMWKLJIER-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.78
Rot. Bonds6

About N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 46652612) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID46652612
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Nc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C25H27N3O3S/c1-19-7-13-24(14-8-19)32(30,31)28-17-15-20(16-18-28)25(29)27-23-11-9-22(10-12-23)26-21-5-3-2-4-6-21/h2-14,20,26H,15-18H2,1H3,(H,27,29)
InChIKeyQXHOELMWKLJIER-UHFFFAOYSA-N
XLogP4.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46554409
N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
N-(3,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24639594
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590
1-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 1077687
methyl 2-chloro-5-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 38238190
N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 18281480

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 46652612) is N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Nc4ccccc4)cc3)CC2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is QXHOELMWKLJIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-19-7-13-24(14-8-19)32(30,31)28-17-15-20(16-18-28)25(29)27-23-11-9-22(10-12-23)26-21-5-3-2-4-6-21/h2-14,20,26H,15-18H2,1H3,(H,27,29).
What are the key properties of N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46652612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).