N-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

C23H26FN3O3S — CID 56572302

IUPACN-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NC(C#N)c3ccccc3F)CC2)cc1
InChIInChI=1S/C23H26FN3O3S/c1-16(2)17-7-9-19(10-8-17)31(29,30)27-13-11-18(12-14-27)23(28)26-22(15-25)20-5-3-4-6-21(20)24/h3-10,16,18,22H,11-14H2,1-2H3,(H,26,28)
InChIKeyLFABTPNRBCHHLG-UHFFFAOYSA-N
MW443.54 g/mol
LogP3.73
Rot. Bonds6

About N-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

N-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 56572302) has the molecular formula C23H26FN3O3S and a molecular weight of 443.54 g/mol. Its IUPAC name is N-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID56572302
Molecular FormulaC23H26FN3O3S
Molecular Weight443.54 g/mol
Exact Mass443.17
IUPAC NameN-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NC(C#N)c3ccccc3F)CC2)cc1
InChIInChI=1S/C23H26FN3O3S/c1-16(2)17-7-9-19(10-8-17)31(29,30)27-13-11-18(12-14-27)23(28)26-22(15-25)20-5-3-4-6-21(20)24/h3-10,16,18,22H,11-14H2,1-2H3,(H,26,28)
InChIKeyLFABTPNRBCHHLG-UHFFFAOYSA-N
XLogP3.73
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyano-(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 56572333
N-[cyano-(2-fluorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 56516677
N-[cyano-(2-fluorophenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 56572242
N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
CID 82114013
N-[1-(4-cyanophenyl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55582684
N-[1-(4-chlorophenyl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55336180
N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 120507976
N-(1-methoxypropan-2-yl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 51144176
N-[2-[(2-chlorobenzoyl)amino]ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55659434
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(1-naphthalen-2-ylethyl)piperidine-4-carboxamide
CID 17496741
N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119495455
1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 26273466

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (CID 56572302) is N-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NC(C#N)c3ccccc3F)CC2)cc1.
What is the InChIKey of N-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is LFABTPNRBCHHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3S/c1-16(2)17-7-9-19(10-8-17)31(29,30)27-13-11-18(12-14-27)23(28)26-22(15-25)20-5-3-4-6-21(20)24/h3-10,16,18,22H,11-14H2,1-2H3,(H,26,28).
What are the key properties of N-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
N-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 443.54 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 56572302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).