4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride

C24H34ClN3O3S — CID 66921149

IUPAC4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ccc(NC(=O)C2(N)CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1.Cl
InChIInChI=1S/C24H33N3O3S.ClH/c1-17(2)19-5-9-21(10-6-19)26-23(28)24(25)13-15-27(16-14-24)31(29,30)22-11-7-20(8-12-22)18(3)4;/h5-12,17-18H,13-16,25H2,1-4H3,(H,26,28);1H
InChIKeyASLROXIJPMTILG-UHFFFAOYSA-N
MW480.07 g/mol
LogP4.48
Rot. Bonds6

About 4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride

4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 66921149) has the molecular formula C24H34ClN3O3S and a molecular weight of 480.07 g/mol. Its IUPAC name is 4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
PubChem CID66921149
Molecular FormulaC24H34ClN3O3S
Molecular Weight480.07 g/mol
Exact Mass479.20
IUPAC Name4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ccc(NC(=O)C2(N)CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1.Cl
InChIInChI=1S/C24H33N3O3S.ClH/c1-17(2)19-5-9-21(10-6-19)26-23(28)24(25)13-15-27(16-14-24)31(29,30)22-11-7-20(8-12-22)18(3)4;/h5-12,17-18H,13-16,25H2,1-4H3,(H,26,28);1H
InChIKeyASLROXIJPMTILG-UHFFFAOYSA-N
XLogP4.48
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.07
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride (CID 66921149) is 4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride is CC(C)c1ccc(NC(=O)C2(N)CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1.Cl.
What is the InChIKey of 4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ASLROXIJPMTILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S.ClH/c1-17(2)19-5-9-21(10-6-19)26-23(28)24(25)13-15-27(16-14-24)31(29,30)22-11-7-20(8-12-22)18(3)4;/h5-12,17-18H,13-16,25H2,1-4H3,(H,26,28);1H.
What are the key properties of 4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 480.07 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 66921149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).