1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide

C22H31N3O4S — CID 24504654

IUPAC1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)NCCCOC2CCCCC2)CC1
InChIInChI=1S/C22H31N3O4S/c23-17-19-7-4-5-10-21(19)30(27,28)25-14-11-18(12-15-25)22(26)24-13-6-16-29-20-8-2-1-3-9-20/h4-5,7,10,18,20H,1-3,6,8-9,11-16H2,(H,24,26)
InChIKeyHTCFHPZJXFTXKI-UHFFFAOYSA-N
MW433.57 g/mol
LogP2.81
Rot. Bonds8

About 1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide

1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide (PubChem CID 24504654) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide
PubChem CID24504654
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)NCCCOC2CCCCC2)CC1
InChIInChI=1S/C22H31N3O4S/c23-17-19-7-4-5-10-21(19)30(27,28)25-14-11-18(12-15-25)22(26)24-13-6-16-29-20-8-2-1-3-9-20/h4-5,7,10,18,20H,1-3,6,8-9,11-16H2,(H,24,26)
InChIKeyHTCFHPZJXFTXKI-UHFFFAOYSA-N
XLogP2.81
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide (CID 24504654) is 1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide is N#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)NCCCOC2CCCCC2)CC1.
What is the InChIKey of 1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide?
The InChIKey is HTCFHPZJXFTXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c23-17-19-7-4-5-10-21(19)30(27,28)25-14-11-18(12-15-25)22(26)24-13-6-16-29-20-8-2-1-3-9-20/h4-5,7,10,18,20H,1-3,6,8-9,11-16H2,(H,24,26).
What are the key properties of 1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide?
1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide has a molecular weight of 433.57 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 24504654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).