N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]pentane-2-sulfonamide

C25H31N3O3S — CID 25152125

IUPACN-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]pentane-2-sulfonamide
SMILESCCCC(C)S(=O)(=O)Nc1ccc(C)c(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1
InChIInChI=1S/C25H31N3O3S/c1-4-5-19(3)32(30,31)27-23-11-6-18(2)24(16-23)25(29)28-14-12-22(13-15-28)21-9-7-20(17-26)8-10-21/h6-11,16,19,22,27H,4-5,12-15H2,1-3H3
InChIKeyITZHKACTZCFYDP-UHFFFAOYSA-N
MW453.61 g/mol
LogP4.82
Rot. Bonds7

About N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]pentane-2-sulfonamide

N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]pentane-2-sulfonamide (PubChem CID 25152125) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]pentane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]pentane-2-sulfonamide
PubChem CID25152125
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC NameN-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]pentane-2-sulfonamide
SMILESCCCC(C)S(=O)(=O)Nc1ccc(C)c(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1
InChIInChI=1S/C25H31N3O3S/c1-4-5-19(3)32(30,31)27-23-11-6-18(2)24(16-23)25(29)28-14-12-22(13-15-28)21-9-7-20(17-26)8-10-21/h6-11,16,19,22,27H,4-5,12-15H2,1-3H3
InChIKeyITZHKACTZCFYDP-UHFFFAOYSA-N
XLogP4.82
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-1-(3-fluorophenyl)methanesulfonamide
CID 25152126
2-methylpropyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]carbamate
CID 24988178
N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide
CID 25152522
4-butoxy-N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]benzenesulfonamide;N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-fluorophenyl]-1-phenylmethanesulfonamide
CID 87720737
1-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 25132035
4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 141349847
2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate
CID 24987425
1-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylsulfanylphenyl]-3-propan-2-ylurea
CID 68954724
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]benzenesulfonamide
CID 25153989
ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
CID 67435574
4-[1-(4-cyclobutyl-5-formyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 86672547
N-butan-2-yl-6-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]pyridine-3-carboxamide
CID 126514803

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]pentane-2-sulfonamide?
The IUPAC name of N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]pentane-2-sulfonamide (CID 25152125) is N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]pentane-2-sulfonamide.
What is the SMILES notation for N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]pentane-2-sulfonamide?
The canonical SMILES for N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]pentane-2-sulfonamide is CCCC(C)S(=O)(=O)Nc1ccc(C)c(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1.
What is the InChIKey of N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]pentane-2-sulfonamide?
The InChIKey is ITZHKACTZCFYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-4-5-19(3)32(30,31)27-23-11-6-18(2)24(16-23)25(29)28-14-12-22(13-15-28)21-9-7-20(17-26)8-10-21/h6-11,16,19,22,27H,4-5,12-15H2,1-3H3.
What are the key properties of N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]pentane-2-sulfonamide?
N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]pentane-2-sulfonamide has a molecular weight of 453.61 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]pentane-2-sulfonamide is sourced from PubChem (CID 25152125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).