N-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide

C24H26ClN3O3S — CID 55594102

IUPACN-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CC1
InChIInChI=1S/C24H26ClN3O3S/c1-17(19-4-6-21(25)7-5-19)28(22-8-9-22)24(29)20-12-14-27(15-13-20)32(30,31)23-10-2-18(16-26)3-11-23/h2-7,10-11,17,20,22H,8-9,12-15H2,1H3
InChIKeyOOLRFOYUYOYEBA-UHFFFAOYSA-N
MW472.01 g/mol
LogP4.36
Rot. Bonds6

About N-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide

N-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 55594102) has the molecular formula C24H26ClN3O3S and a molecular weight of 472.01 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
PubChem CID55594102
Molecular FormulaC24H26ClN3O3S
Molecular Weight472.01 g/mol
Exact Mass471.14
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CC1
InChIInChI=1S/C24H26ClN3O3S/c1-17(19-4-6-21(25)7-5-19)28(22-8-9-22)24(29)20-12-14-27(15-13-20)32(30,31)23-10-2-18(16-26)3-11-23/h2-7,10-11,17,20,22H,8-9,12-15H2,1H3
InChIKeyOOLRFOYUYOYEBA-UHFFFAOYSA-N
XLogP4.36
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.01
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 45353380
N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 134006146
N-[1-(4-cyanophenyl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55582684
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 75872095
1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 26273466
(4-cyanophenyl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 29321290
[(1R)-1-cyanoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 7739720
1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26689303
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 27670607
1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide
CID 55593378
2-(4-cyanophenoxy)ethyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 30066412
1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 27740023

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide (CID 55594102) is N-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide is CC(c1ccc(Cl)cc1)N(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is OOLRFOYUYOYEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S/c1-17(19-4-6-21(25)7-5-19)28(22-8-9-22)24(29)20-12-14-27(15-13-20)32(30,31)23-10-2-18(16-26)3-11-23/h2-7,10-11,17,20,22H,8-9,12-15H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 472.01 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 55594102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).